2VVU
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 | 2004-08-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.890, 74.670, 76.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.300 |
| R-factor | 0.22 |
| Rwork | 0.216 |
| R-free | 0.30900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c5m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.317 |
| 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] | 20.000 | 2.600 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.250 |
| Number of reflections | 12948 | |
| <I/σ(I)> | 13.8 | 7.35 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
