3NID
The Closed Headpiece of Integrin alphaIIB beta3 and its Complex with an alpahIIB beta3 -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) | 1.00695 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 258.970, 144.490, 104.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.210 - 2.300 |
| R-factor | 0.1795 |
| Rwork | 0.179 |
| R-free | 0.21474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vdr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.068 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.010 | 0.839 |
| Number of reflections | 169848 | |
| <I/σ(I)> | 11.7 | 2.1 |
| Completeness [%] | 97.7 | 96.9 |
| Redundancy | 5.6 | 4.9 |
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 |
