2VVC
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 | 2004-12-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.960, 77.190, 74.760 |
| Unit cell angles | 90.00, 92.12, 90.00 |
Refinement procedure
| Resolution | 74.740 - 1.950 |
| R-factor | 0.203 |
| Rwork | 0.199 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bok |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.487 |
| 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] | 1.950 | 1.950 |
| Rmerge | 0.120 | 0.380 |
| Number of reflections | 36457 | |
| <I/σ(I)> | 7.84 | 3.03 |
| Completeness [%] | 90.3 | 95.9 |
| Redundancy | 3.66 | 3.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
