4UM9
Crystal structure of alpha V beta 6 with peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 185.020, 168.090, 101.800 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g1m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.258 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | |
| Number of reflections | 100024 | |
| <I/σ(I)> | 4.9 | 0.35 |
| Completeness [%] | 94.4 | 70.6 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 15% PEG 4000, 0.1 M NACACODYLATE, PH 6.0 |
