2VWN
Aminopyrrolidine Factor Xa inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.540, 105.540, 49.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.540 - 1.610 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vvc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.381 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 36756 | |
| <I/σ(I)> | 22.8 | 5.85 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 7.2 | 6.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
