2CJI
Crystal structure of a Human Factor Xa inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.968, 72.633, 79.784 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SEE REMARK |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.530 |
| Number of reflections | 19989 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 18% PEG 6K, 100MM MES PH5.75, 10MM CACL2 |
