2VWM
Aminopyrrolidine Factor Xa inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.930, 77.110, 74.870 |
| Unit cell angles | 90.00, 92.07, 90.00 |
Refinement procedure
| Resolution | 74.740 - 1.960 |
| R-factor | 0.204 |
| Rwork | 0.200 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vvc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.040 | 0.200 |
| Number of reflections | 36648 | |
| <I/σ(I)> | 20.7 | 6.57 |
| Completeness [%] | 91.6 | 99.6 |
| Redundancy | 4.01 | 3.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
