2ANM
Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200HB |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | SIEMENS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.240, 72.390, 73.060 |
| Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
| Resolution | 44.130 - 2.400 |
| Rwork | 0.194 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNX (2002) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.570 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.094 | 0.373 |
| Number of reflections | 18187 | |
| <I/σ(I)> | 9.39 | |
| Completeness [%] | 98.0 | 93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
