2XBW
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 | 2004-02-09 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.680, 105.680, 49.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.450 - 1.720 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN HOUSE STRUCTURE |
RMSD bond length | 0.010 |
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 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.100 | 0.780 |
Number of reflections | 31253 | |
<I/σ(I)> | 12.29 | 3.07 |
Completeness [%] | 99.1 | 95.2 |
Redundancy | 11.7 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PH 6.5 |