3NIF
The Closed Headpiece of Integrin IIb 3 and its Complex with an IIb 3 -Specific Antagonist That Does Not Induce Opening
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 | 2008-12-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 259.530, 144.280, 104.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.210 - 2.400 |
| R-factor | 0.17586 |
| Rwork | 0.176 |
| R-free | 0.21611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nid |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| Refinement software | REFMAC (5.5.0093) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.089 | |
| Number of reflections | 145845 | |
| <I/σ(I)> | 13.3 | 2.29 |
| Completeness [%] | 95.1 | 95.6 |
| Redundancy | 5.53 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 277 | 11% PEG 8000, 0.2 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
