7TD8
Integrin alaphIIBbeta3 complex with Tirofiban
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 | 2011-07-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 256.560, 144.370, 104.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.310 - 2.600 |
R-factor | 0.1817 |
Rwork | 0.181 |
R-free | 0.20980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nig |
RMSD bond length | 0.003 |
RMSD bond angle | 0.539 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.100 | 1.260 |
Number of reflections | 119442 | 8790 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 99.8 | |
Redundancy | 5.8 |
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 |