2UWL
Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.547, 72.573, 79.072 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 1.900 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ezq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.468 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.440 |
| Number of reflections | 26374 | |
| <I/σ(I)> | 23.9 | 2.8 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 18% PEG6K, 50MM HEPES PH5.75, 10MM CACL2, 150MM NACL |
