2VWL
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 | 2005-01-27 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.800, 105.800, 49.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.740 - 1.800 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vvc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.464 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.520 |
| Number of reflections | 26527 | |
| <I/σ(I)> | 16.92 | 3.6 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.74 | 5.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
