1O0D
Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 1998-02-01 |
| Detector | SIEMENS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.880, 71.960, 73.520 |
| Unit cell angles | 90.00, 101.06, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.440 |
| Rwork | 0.199 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.410 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.078 | 0.320 * |
| Total number of observations | 29541 * | |
| Number of reflections | 12245 | |
| <I/σ(I)> | 16.042 | 1.754 |
| Completeness [%] | 90.0 | 49.2 |
| Redundancy | 2.1 | 1.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8.5 | 298 | PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
