4NEH
An internal ligand-bound, metastable state of a leukocyte integrin, aXb2
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 | 2010-10-18 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 126.967, 131.444, 190.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.664 - 2.751 |
R-factor | 0.1942 |
Rwork | 0.193 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 3K6S 1n3y 2iue |
RMSD bond length | 0.004 |
RMSD bond angle | 0.779 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.750 |
Rmerge | 0.111 |
Number of reflections | 81493 |
Completeness [%] | 98.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 297 | 6% PEG 8000, 0.2 M Mg acetate, 0.1 M Na cacodylate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 297K |