7UJE
Integrin alaphIIBbeta3 complex with UR2922 in Mn2+
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 | 2011-07-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 259.560, 143.710, 105.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.736 - 2.500 |
R-factor | 0.209663687435 |
Rwork | 0.209 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nig |
RMSD bond length | 0.006 |
RMSD bond angle | 0.511 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.116 | 1.630 |
Number of reflections | 135646 | 9984 |
<I/σ(I)> | 7.4 | |
Completeness [%] | 99.4 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | 11-13% PEG 8000, 0.2 M Ammonium Sulfate, 0.1 M Tris-HCl, pH 8.9 |