7LMV
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0322 |
| Spacegroup name | P 31 |
| Unit cell lengths | 92.270, 92.270, 82.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.260 - 1.900 |
| R-factor | 0.2222 |
| Rwork | 0.221 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Designed Model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.684 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18rc2_3793) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.260 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.093 | 0.613 |
| Number of reflections | 61653 | 3570 |
| <I/σ(I)> | 10.4 | 2.4 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 5.6 | |
| CC(1/2) | 0.990 | 0.114 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.2 M KNO3, 20% PEG3350 |
