£€0€ €0€ €0€ €f¡€0€ €1Q7D¡€remark 3: Refinement.¡€!remark 3: Program : Cns 1.0¡€Aremark 3: Authors : Brunger,Adams,Clore,Delano,Gros,Grosse-¡€6remark 3: : Kunstleve,Jiang,Kuszewski,Nilges, Pannu,¡€'remark 3: : Read,Rice,Simonson,Warren¡€,remark 3: Refinement Target : Engh & Huber¡€$remark 3: Data Used In Refinement.¡€4remark 3: Resolution Range High (Angstroms) : 1.80¡€4remark 3: Resolution Range Low (Angstroms) : 6.00¡€5remark 3: Data Cutoff (Sigma(F)) : 1.000¡€4remark 3: Data Cutoff High (Abs(F)) : Null¡€4remark 3: Data Cutoff Low (Abs(F)) : Null¡€3remark 3: Completeness (Working+test) (%) : 5.4¡€4remark 3: Number Of Reflections : 4865¡€+remark 3: Fit To Data Used In Refinement.¡€4remark 3: Cross-Validation Method : Rfree¡€1remark 3: Free R Value Test Set Selection : 5%¡€4remark 3: R Value (Working Set) : 0.236¡€4remark 3: Free R Value : 0.266¡€3remark 3: Free R Value Test Set Size (%) : Null¡€2remark 3: Free R Value Test Set Count : 265¡€3remark 3: Estimated Error Of Free R Value : Null¡€.remark 3: Fit In The Highest Resolution Bin.¡€6remark 3: Total Number Of Bins Used : Null¡€6remark 3: Bin Resolution Range High (A) : 1.80¡€6remark 3: Bin Resolution Range Low (A) : 1.88¡€7remark 3: Bin Completeness (Working+test) (%) : 95.00¡€6remark 3: Reflections In Bin (Working Set) : Null¡€8remark 3: Bin R Value (Working Set) : 0.3580¡€8remark 3: Bin Free R Value : 0.4850¡€6remark 3: Bin Free R Value Test Set Size (%) : Null¡€4remark 3: Bin Free R Value Test Set Count : 22¡€7remark 3: Estimated Error Of Bin Free R Value : 0.010¡€remark 3: Group 1 Positional (A) : Null ; Null¡€remark 200: Experiment Type : X-Ray Diffraction¡€8remark 200: Date Of Data Collection : 06-Jan-2001¡€1remark 200: Temperature (Kelvin) : 85.0¡€1remark 200: Ph : 8.00¡€.remark 200: Number Of Crystals Used : 1¡€-remark 200: Synchrotron (YN) : Y¡€1remark 200: Radiation Source : Esrf¡€1remark 200: Beamline : Id13¡€1remark 200: X-Ray Generator Model : Null¡€-remark 200: Monochromatic Or Laue (ML) : M¡€0remark 200: Wavelength Or Range (A) : 1.0¡€1remark 200: Monochromator : Null¡€1remark 200: Optics : Null¡€0remark 200: Detector Type : Ccd¡€8remark 200: Detector Manufacturer : Marresearch¡€3remark 200: Intensity-Integration Software : Mosflm¡€2remark 200: Data Scaling Software : Scala¡€1remark 200: Number Of Unique Reflections : 5060¡€2remark 200: Resolution Range High (A) : 1.800¡€3remark 200: Resolution Range Low (A) : 20.000¡€2remark 200: Rejection Criteria (Sigma(I)) : 0.000¡€remark 200: Overall.¡€1remark 200: Completeness For Range (%) : 99.1¡€2remark 200: Data Redundancy : 6.600¡€4remark 200: R Merge (I) : 0.10500¡€4remark 200: R Sym (I) : 0.10500¡€3remark 200: FOR THE DATA SET : 12.9000¡€,remark 200: In The Highest Resolution Shell.¡€;remark 200: Highest Resolution Shell, Range High (A) : 1.80¡€;remark 200: Highest Resolution Shell, Range Low (A) : 1.90¡€1remark 200: Completeness For Shell (%) : 95.2¡€1remark 200: Data Redundancy In Shell : 4.80¡€4remark 200: R Merge For Shell (I) : 0.35500¡€4remark 200: R Sym For Shell (I) : 0.35500¡€1remark 200: FOR SHELL : 5.000¡€3remark 200: Diffraction Protocol: Single Wavelength¡€Iremark 200: Method Used To Determine The Structure: Molecular Replacement¡€ remark 200: Software Used: Amore¡€ remark 200: Starting Model: Null¡€remark 200: Remark: Null¡€remark 280: Crystal¡€+remark 280: Solvent Content, Vs (%): 41.7¡€9remark 280: Matthews Coefficient, Vm (Angstroms3DA): 2.12¡€Hremark 280: Crystallization Conditions: Peg 8k, Ph 8.0, Vapor Diffusion,¡€*remark 280: Sitting Drop, Temperature 277k¡€%remark 290: Crystallographic Symmetry¡€8remark 290: Symmetry Operators For Space Group: C 2 2 21¡€remark 290: Symop Symmetry¡€remark 290: Nnnmmm Operator¡€remark 290: 1555 X,Y,Z¡€remark 290: 2555 -X,-Y,12+Z¡€remark 290: 3555 -X,Y,12-Z¡€remark 290: 4555 X,-Y,-Z¡€remark 290: 5555 12+X,12+Y,Z¡€!remark 290: 6555 12-X,12-Y,12+Z¡€!remark 290: 7555 12-X,12+Y,12-Z¡€remark 290: 8555 12+X,12-Y,-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 -1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 2 0.000000 -1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 2 0.000000 0.000000 1.000000 12.70000¡€Cremark 290: Smtry1 3 -1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 3 0.000000 1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 3 0.000000 0.000000 -1.000000 12.70000¡€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 0.00000¡€Cremark 290: Smtry1 5 1.000000 0.000000 0.000000 14.80000¡€Cremark 290: Smtry2 5 0.000000 1.000000 0.000000 67.90000¡€Cremark 290: Smtry3 5 0.000000 0.000000 1.000000 0.00000¡€Cremark 290: Smtry1 6 -1.000000 0.000000 0.000000 14.80000¡€Cremark 290: Smtry2 6 0.000000 -1.000000 0.000000 67.90000¡€Cremark 290: Smtry3 6 0.000000 0.000000 1.000000 12.70000¡€Cremark 290: Smtry1 7 -1.000000 0.000000 0.000000 14.80000¡€Cremark 290: Smtry2 7 0.000000 1.000000 0.000000 67.90000¡€Cremark 290: Smtry3 7 0.000000 0.000000 -1.000000 12.70000¡€Cremark 290: Smtry1 8 1.000000 0.000000 0.000000 14.80000¡€Cremark 290: Smtry2 8 0.000000 -1.000000 0.000000 67.90000¡€Cremark 290: Smtry3 8 0.000000 0.000000 -1.000000 0.00000¡€remark 290: Remark: Null¡€remark 300: Biomolecule: 1¡€Dremark 300: This Entry Contains The Crystallographic Asymmetric Unit¡€Structure Of The Integrin Alpha2beta1 Binding Collagen Peptide¡€Contractile Protein¢€ËMol_id: 1; Synthetic: Yes; Other_details: The Peptide Was Chemically Synthesized. The Sequence Of The Peptide Is Naturally Found In Homo Sapiens (Human). Peptide Synthesised Using Standard Fmoc Synthesis£€ËStructure Of The Integrin Alpha2beta1 Binding Collagen Peptide Collagen, Integrin, Triplehelix Mol_id: 1; Molecule: Collagen Alfa 1(I) Chain Peptide Gpogpogfogergpogpogpo; Chain: A, B, C; Engineered: Yes§€ÿ¡€0€0€ €¡€0€ €A£€SEQRES¨€¥€0€¢€0€ € Homo sapiens£€1€0€ €taxon¡€ €%†¥€0€ € €0€ €Homo¡€sapiens£€{Eukaryota; Metazoa; Chordata; Craniata; Vertebrata; Euteleostomi; Mammalia; Eutheria; Primates; Catarrhini; Hominidae; Homo¤€¥€¦€PRI¢€«€‰)5£€0€0€ €¡€ 1 ¢€ €0€ €¡€ 2 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ 3 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€+0€ €¡€ 4 ¢€ €0€ €¡€ 5 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ €¡€ 6 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€+0€ €¡€ 7 ¢€ €0€ €¡€ 8 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ € ¡€ 9 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€(0€ € ¡€ 10 ¢€ €0€ € ¡€ 11 ¢€¢€0€ €¡€0€ €Standard residue dictionary¡€ €¡€0€ € ¡€ 12 ¢€¢€0€ €¡€0€ €Standard residue 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