3VI4
Crystal structure of alpha5beta1 integrin headpiece in complex with RGD peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2010-04-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.805, 103.869, 125.262 |
| Unit cell angles | 75.72, 70.16, 70.90 |
Refinement procedure
| Resolution | 100.000 - 2.900 |
| R-factor | 0.21768 |
| Rwork | 0.215 |
| R-free | 0.27456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.292 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 116.450 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 89549 | |
| <I/σ(I)> | 9.4 | 2.1 |
| Completeness [%] | 98.9 | 98.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M Bis-tris (pH6.5), 20%(w/v) PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
