3LDX
Discovery and Clinical Evaluation of RWJ-671818, a Thrombin Inhibitor with an Oxyguanidine P1 Motif
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.099, 72.008, 73.412 |
| Unit cell angles | 90.00, 101.06, 90.00 |
Refinement procedure
| Resolution | 22.923 - 2.246 |
| R-factor | 0.1797 |
| Rwork | 0.175 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| Refinement software | PHENIX ((phenix.refine: dev_243)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| Number of reflections | 16380 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
