2XBX
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.780, 105.780, 50.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.960 - 1.850 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.120 | 0.570 |
| Number of reflections | 24993 | |
| <I/σ(I)> | 17.6 | 6 |
| Completeness [%] | 98.7 | 92.8 |
| Redundancy | 19.3 | 16.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PH 6.5 |
