2P94
Factor xa in complex with the inhibitor 3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-08 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.029, 72.546, 78.489 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.520 - 1.800 |
| R-factor | 0.297 |
| Rwork | 0.295 |
| R-free | 0.33000 |
| Structure solution method | MR |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.800 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.520 | 1.730 |
| High resolution limit [Å] | 1.610 | 1.660 |
| Rmerge | 0.133 | 0.370 |
| Total number of observations | 15519 | |
| Number of reflections | 36051 | |
| <I/σ(I)> | 5.1 | 1.8 |
| Completeness [%] | 83.4 | 49 |
| Redundancy | 3.02 | 3.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K |
