4AX9
Human thrombin complexed with Napsagatran, RO0466240
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1993-10-29 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.400, 72.040, 72.700 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.900 |
| R-factor | 0.16265 |
| Rwork | 0.161 |
| R-free | 0.19609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.060 | 0.230 |
| Number of reflections | 25336 | |
| Completeness [%] | 71.0 | 60.2 |
| Redundancy | 2.15 | 1.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
