4BAO
Thrombin in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.410, 71.510, 72.160 |
| Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
| Resolution | 21.500 - 1.870 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21770 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.920 | 1.920 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.060 | 0.660 |
| Number of reflections | 27359 | |
| <I/σ(I)> | 17.6 | 2.4 |
| Completeness [%] | 96.1 | 92.9 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
