2XBY
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 | 2004-02-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 106.640, 106.640, 50.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.850 - 2.020 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| 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 | 2.150 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.090 | 0.540 |
| Number of reflections | 19557 | |
| <I/σ(I)> | 13.8 | 3.73 |
| Completeness [%] | 99.3 | 97.4 |
| Redundancy | 6.14 | 5.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PH 6.5 |
