£€0€ €0€ €0€ €'‡¡€0€ €3ERT¡€remark 3: Refinement.¡€&remark 3: Program : X-Plor 3.854¡€!remark 3: Authors : Brunger¡€$remark 3: Data Used In Refinement.¡€3remark 3: Resolution Range High (Angstroms) : 1.9¡€4remark 3: Resolution Range Low (Angstroms) : 41.0¡€3remark 3: Data Cutoff (Sigma(F)) : 0.0¡€:remark 3: Data Cutoff High (Abs(F)) : 10000000.0¡€5remark 3: Data Cutoff Low (Abs(F)) : 0.001¡€4remark 3: Completeness (Working+test) (%) : 99.1¡€5remark 3: Number Of Reflections : 23009¡€+remark 3: Fit To Data Used In Refinement.¡€9remark 3: Cross-Validation Method : Throughout¡€5remark 3: Free R Value Test Set Selection : Random¡€4remark 3: R Value (Working Set) : 0.229¡€4remark 3: Free R Value : 0.262¡€2remark 3: Free R Value Test Set Size (%) : 8.2¡€3remark 3: Free R Value Test Set Count : 1910¡€3remark 3: Estimated Error Of Free R Value : Null¡€.remark 3: Fit In The Highest Resolution Bin.¡€3remark 3: Total Number Of Bins Used : 8¡€5remark 3: Bin Resolution Range High (A) : 1.9¡€6remark 3: Bin Resolution Range Low (A) : 1.99¡€6remark 3: Bin Completeness (Working+test) (%) : 97.5¡€6remark 3: Reflections In Bin (Working Set) : 2500¡€7remark 3: Bin R Value (Working Set) : 0.365¡€7remark 3: Bin Free R Value : 0.385¡€5remark 3: Bin Free R Value Test Set Size (%) : 8.3¡€5remark 3: Bin Free R Value Test Set Count : 232¡€6remark 3: Estimated Error Of Bin Free R Value : Null¡€remark 3: Group 1 Positional (A) : Null ; Null¡€remark 200: Experiment Type : X-Ray Diffraction¡€8remark 200: Date Of Data Collection : 01-Mar-1998¡€2remark 200: Temperature (Kelvin) : 100.0¡€0remark 200: Ph : 7.0¡€.remark 200: Number Of Crystals Used : 1¡€-remark 200: Synchrotron (YN) : Y¡€1remark 200: Radiation Source : Ssrl¡€0remark 200: Beamline : 9-1¡€1remark 200: X-Ray Generator Model : Null¡€-remark 200: Monochromatic Or Laue (ML) : M¡€1remark 200: Wavelength Or Range (A) : 0.98¡€1remark 200: Monochromator : Null¡€1remark 200: Optics : Null¡€8remark 200: Detector Type : Image Plate¡€8remark 200: Detector Manufacturer : Marresearch¡€2remark 200: Intensity-Integration Software : Denzo¡€6remark 200: Data Scaling Software : Scalepack¡€2remark 200: Number Of Unique Reflections : 23064¡€0remark 200: Resolution Range High (A) : 1.9¡€1remark 200: Resolution Range Low (A) : 41.0¡€1remark 200: Rejection Criteria (Sigma(I)) : -3.0¡€remark 200: Overall.¡€1remark 200: Completeness For Range (%) : 99.1¡€1remark 200: Data Redundancy : 11.7¡€1remark 200: R Merge (I) : Null¡€1remark 200: R Sym (I) : 0.07¡€0remark 200: FOR THE DATA SET : 16.1¡€,remark 200: In The Highest Resolution Shell.¡€:remark 200: Highest Resolution Shell, Range High (A) : 1.9¡€;remark 200: Highest Resolution Shell, Range Low (A) : 1.93¡€1remark 200: Completeness For Shell (%) : 97.1¡€1remark 200: Data Redundancy In Shell : Null¡€1remark 200: R Merge For Shell (I) : Null¡€2remark 200: R Sym For Shell (I) : 0.646¡€/remark 200: FOR SHELL : 2.1¡€3remark 200: Diffraction Protocol: Single Wavelength¡€=remark 200: Method Used To Determine The Structure: Molecular¡€remark 200: Replacement¡€ remark 200: Software Used: Amore¡€ remark 200: Starting Model: 2lbd¡€remark 200: Remark: Null¡€remark 280: Crystal¡€+remark 280: Solvent Content, Vs (%): 48.0¡€8remark 280: Matthews Coefficient, Vm (Angstroms3DA): 2.4¡€Bremark 280: Crystallization Conditions: Well: 25-27%(WV) PEG 4000,¡€Dremark 280: 0.180 M Sodium Acetate, 0.90 M Tris Ph 8.75-9.0 Protein:¡€/remark 280: 4.3 GL TEMPERATURE: 19-21 Degrees C¡€%remark 290: Crystallographic Symmetry¡€8remark 290: Symmetry Operators For Space Group: P 65 2 2¡€remark 290: Symop Symmetry¡€remark 290: Nnnmmm Operator¡€remark 290: 1555 X,Y,Z¡€remark 290: 2555 -Y,X-Y,23+Z¡€remark 290: 3555 -X+y,-X,13+Z¡€remark 290: 4555 -X,-Y,12+Z¡€remark 290: 5555 Y,-X+y,16+Z¡€remark 290: 6555 X-Y,X,56+Z¡€remark 290: 7555 Y,X,23-Z¡€remark 290: 8555 X-Y,-Y,-Z¡€remark 290: 9555 -X,-X+y,13-Z¡€remark 290: 10555 -Y,-X,16-Z¡€remark 290: 11555 -X+y,Y,12-Z¡€remark 290: 12555 X,X-Y,56-Z¡€(remark 290: Where Nnn -> Operator Number¡€%remark 290: Mmm -> Translation Vector¡€5remark 290: Crystallographic Symmetry Transformations¡€Cremark 290: The Following Transformations Operate On The AtomHETATM¡€Aremark 290: Records In This Entry To Produce Crystallographically¡€remark 290: Related Molecules.¡€Cremark 290: Smtry1 1 1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 1 0.000000 1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 1 0.000000 0.000000 1.000000 0.00000¡€Cremark 290: Smtry1 2 -0.500000 -0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 2 0.866025 -0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 2 0.000000 0.000000 1.000000 184.97800¡€Cremark 290: Smtry1 3 -0.500000 0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 3 -0.866025 -0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 3 0.000000 0.000000 1.000000 92.48900¡€Cremark 290: Smtry1 4 -1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 4 0.000000 -1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 4 0.000000 0.000000 1.000000 138.73350¡€Cremark 290: Smtry1 5 0.500000 0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 5 -0.866025 0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 5 0.000000 0.000000 1.000000 46.24450¡€Cremark 290: Smtry1 6 0.500000 -0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 6 0.866025 0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 6 0.000000 0.000000 1.000000 231.22250¡€Cremark 290: Smtry1 7 -0.500000 0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 7 0.866025 0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 7 0.000000 0.000000 -1.000000 184.97800¡€Cremark 290: Smtry1 8 1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 8 0.000000 -1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 8 0.000000 0.000000 -1.000000 0.00000¡€Cremark 290: Smtry1 9 -0.500000 -0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 9 -0.866025 0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 9 0.000000 0.000000 -1.000000 92.48900¡€Cremark 290: Smtry1 10 0.500000 -0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 10 -0.866025 -0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 10 0.000000 0.000000 -1.000000 46.24450¡€Cremark 290: Smtry1 11 -1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 11 0.000000 1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 11 0.000000 0.000000 -1.000000 138.73350¡€Cremark 290: Smtry1 12 0.500000 0.866025 0.000000 0.00000¡€Cremark 290: Smtry2 12 0.866025 -0.500000 0.000000 0.00000¡€Cremark 290: Smtry3 12 0.000000 0.000000 -1.000000 231.22250¡€remark 290: Remark: Null¡€remark 300: Biomolecule¡€Dremark 300: This Entry Contains The Crystallographic Asymmetric Unit¡€remark 500: Than 4Rmsd (Mmodel Number; Resresidue Name; Cchain¡€>remark 500: Identifier; Sseqsequence Number; Iinsertion Code).¡€remark 500: Standard Table:¡€Cremark 500: Format: (10x,I3,1x,A3,1x,A1,I4,A1,3(1x,A4,2x),12x,F5.1)¡€1remark 500: Expected Values: Engh And Huber, 1991¡€+remark 500: M Res Csseqi Atm1 Atm2 Atm3¡€Bremark 500: Thr A 311 N - Ca - C Angl. Dev. -4.8 Degrees¡€Bremark 500: Ile A 326 N - Ca - C Angl. Dev. -5.8 Degrees¡€Bremark 500: Ser A 329 N - Ca - C Angl. Dev. -6.0 Degrees¡€Bremark 500: Ser A 341 N - Ca - C Angl. Dev. -4.1 Degrees¡€Bremark 500: Val A 364 N - Ca - C Angl. Dev. -8.2 Degrees¡€Bremark 500: Leu A 379 Ca - Cb - Cg Angl. Dev. -4.2 Degrees¡€Bremark 500: Ala A 382 N - Ca - C Angl. Dev. 10.4 Degrees¡€Bremark 500: Trp A 383 N - Ca - C Angl. Dev. 5.7 Degrees¡€Bremark 500: Ala A 405 N - Ca - C Angl. Dev. -6.1 Degrees¡€Bremark 500: Leu A 410 Ca - Cb - Cg Angl. Dev. 4.4 Degrees¡€Bremark 500: Ile A 424 N - Ca - C Angl. Dev. 7.7 Degrees¡€Bremark 500: Leu A 428 Ca - Cb - Cg Angl. Dev. -4.0 Degrees¡€Bremark 500: Leu A 454 N - Ca - C Angl. Dev. 4.0 Degrees¡€Bremark 500: Ser A 456 N - Ca - C Angl. Dev. 5.3 Degrees¡€Bremark 500: Leu A 462 N - Ca - C Angl. Dev. 5.9 Degrees¡€Bremark 500: Leu A 540 Ca - Cb - Cg Angl. Dev. 6.5 Degrees¡€Bremark 500: His A 547 N - Ca - C Angl. Dev. -4.1 Degrees¡€CDbref 3ert A 294 554 Sws P03372 Estr_human 294 554¡€ASeqadv 3ert Met A 294 Sws P03372 Ser 294 Cloning Artifact¡€ASeqadv 3ert Asp A 295 Sws P03372 Pro 295 Cloning Artifact¡€ASeqadv 3ert Pro A 296 Sws P03372 Leu 296 Cloning Artifact£€0€¢€0€ €Protein Data Bank¡€ €¡€0€ €Ï¡€¢€¢€¡€0€ €PDB¡€¡€3ERT£€¡€0€ €Ï¡€¢€€€0€2ERT€€¡€0€ €0€ € €0€0€ €¡€0€ €Shiau£€ A.K.Shiau€€A.K.0€ €¡€0€ €Barstad£€ D.Barstad€€D.0€ €¡€0€ €Loria£€ P.M.Loria€€P.M.0€ €¡€0€ €Cheng£€L.Cheng€€L.0€ €¡€0€ €Kushner£€ P.J.Kushner€€P.J.0€ €¡€0€ €Agard£€ D.A.Agard€€D.A.0€ €¡€0€ €Greene£€ G.L.Greene€€G.L.¡€0€ €¡€0€ €Ï¡€¢€€€«€1€€€0€ €1€ €vThe structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen.¡€0€ € €0€0€ €¡€0€ €Shiau€€A.K.0€ €¡€0€ €Barstad€€D.0€ €¡€0€ €Loria€€P.M.0€ €¡€0€ €Cheng€€L.0€ €¡€0€ €Kushner€€P.J.0€ €¡€0€ €Agard€€D.A.0€ €¡€0€ €Greene€€G.L.¡€ €ŽHoward Hughes Medical Institute and the Department of Biochemistry and Biophysics, University of California at San Francisco, 94143-0448, USA.¢€ €0€ €1€€€Cell¥€Cell§€ 0092-8674£€CQ4¡€0€ €¡€0€ €Ρ€ ¢€¡€95¢€7£€927-937£€èk¢€0€ €0€ €VHuman Estrogen Receptor Alpha Ligand-Binding Domain In Complex With 4-Hydroxytamoxifen¡€Nuclear Receptor¢€‚Mol_id: 1; Organism_scientific: Homo Sapiens; Organism_common: Human; Gene: Estrogen Receptor Alpha; Expression_system: Escherichia Coli; Expression_system_strain: Bl21(De3)plyss; Expression_system_cellular_location: Cytoplasm; Expression_system_plasmid: Pet23d£€‚oHuman Estrogen Receptor Alpha Ligand-Binding Domain In Complex With 4-Hydroxytamoxifen Nuclear Receptor, Transcription Factor, Estrogen, Antagonist Mol_id: 1; Molecule: Estrogen Receptor Alpha; Chain: A; Fragment: Ligand-Binding Domain; Synonym: Oestrogen Receptor, Er Lbd; Engineered: Yes; Biological_unit: Homodimer; Other_details: Complexed With 4-Hydroxytamoxifen§€ÿ¡€0€0€ €¡€0€ €A£€SEQRESš€¥€0€¢€0€ € Homo sapiens¡€human£€1€0€ €taxon¡€ €%†¥€0€ € €0€ €Homo¡€sapiens£€mEukaryota; Metazoa; Chordata; Craniata; Vertebrata; Mammalia; Eutheria; Primates; Catarrhini; Hominidae; Homo€€¥€Š€PRI¢€«€K:°£€0€0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€'0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€ 0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€+0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€%0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€"0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€.0€ € ¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€"0€ € ¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€"0€ € ¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ € ¡€ ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€.0€ € ¡€ 306 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ 307 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ 308 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ 309 ¢€¢€0€ €¡€0€ €Standard residue 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dictionary¡€ €¡€0€ €C¡€ 360 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€40€ €D¡€ 361 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €E¡€ 362 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€"0€ €F¡€ 363 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €G¡€ 364 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€:0€ €H¡€ 365 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€+0€ €I¡€ 366 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €J¡€ 367 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€(0€ €K¡€ 368 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€:0€ €L¡€ 369 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€ 0€ €M¡€ 370 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €N¡€ 371 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€10€ €O¡€ 372 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €P¡€ 373 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €Q¡€ 374 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€ 0€ €R¡€ 375 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €S¡€ 376 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