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 |