2XC4
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 | 2004-03-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.840, 74.550, 76.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.490 - 1.670 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.24447 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.770 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 32827 | |
| <I/σ(I)> | 15.37 | 5.23 |
| Completeness [%] | 98.5 | 96.9 |
| Redundancy | 5.9 | 5.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PH 6.5 |
