7U9F
Integrin alaphIIBbeta3 complex with BMS compound 4 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 | 2014-11-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97938 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 259.397, 144.292, 104.923 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.086 - 2.700 |
| R-factor | 0.216968496148 |
| Rwork | 0.217 |
| R-free | 0.23742 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nig |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.532 |
| 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 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.995 |
| Number of reflections | 107262 | 6873 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 98.4 | |
| Redundancy | 5.2 |
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 |
