8W30
Crystal structure of alpha-V beta-1 integrin headpiece in complex with TR01225179
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 199.184, 148.212, 53.415 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 47.875 - 2.450 |
| R-factor | 0.256 |
| Rwork | 0.255 |
| R-free | 0.27510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.755 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.480 | 2.530 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 51039 | 4394 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 92.3 | 91.1 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.990 | 0.453 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% pentaerythritol ethoxylate (15/4_EO/OH), 0.05M ammonium sulfate, 0.05M Bis Tris pH 6.5 |
