1VZQ
Complex of thrombin with designed inhibitor 7165
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-03 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.900, 71.400, 72.400 |
| Unit cell angles | 90.00, 100.40, 90.00 |
Refinement procedure
| Resolution | 18.550 - 1.540 |
| Rwork | 0.181 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oyt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.800 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.630 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.040 | 0.230 |
| Number of reflections | 43087 | |
| <I/σ(I)> | 26.98 | 8.56 |
| Completeness [%] | 82.2 | 83.9 |
| Redundancy | 7.11 | 6.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | PH 7.40 |
