4CH8
High-salt crystal structure of a thrombin-GpIbalpha peptide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-29 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.220, 51.330, 150.080 |
| Unit cell angles | 90.00, 96.13, 90.00 |
Refinement procedure
| Resolution | 42.140 - 1.750 |
| R-factor | 0.21122 |
| Rwork | 0.210 |
| R-free | 0.24235 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppb |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.802 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.450 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.450 |
| Number of reflections | 105859 | |
| <I/σ(I)> | 9.2 | 1.7 |
| Completeness [%] | 93.2 | 95.8 |
| Redundancy | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 100 MM SODIUM FORMATE, 18% PEG-3350, pH 7.4 |
