2CF9
Complex of recombinant human thrombin with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-16 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.290, 71.840, 73.060 |
| Unit cell angles | 90.00, 100.56, 90.00 |
Refinement procedure
| Resolution | 71.800 - 1.790 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.19800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1oyt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.359 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.040 | 0.250 |
| Number of reflections | 31281 | |
| <I/σ(I)> | 22.9 | 5.4 |
| Completeness [%] | 91.4 | 86.6 |
| Redundancy | 4.54 | 4.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | PH 7.40 |
