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 |