2C8W
thrombin inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.579, 71.906, 72.200 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 70.710 - 1.960 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qj1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.303 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | IN-HOUSE (SOFTWARE) |
| Refinement software | REFMAC (5.2.0019C) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.610 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.140 |
| Number of reflections | 23682 | |
| <I/σ(I)> | 11.6 | 5 |
| Completeness [%] | 97.9 | 92.3 |
| Redundancy | 3.13 | 2.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.3 | PH 7.30 |
