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 |