2BQ6
Crystal structure of factor Xa in complex with 21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-06-12 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.400, 70.650, 76.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.000 - 3.000 |
Rwork | 0.203 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lpg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.289 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNX |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.070 | 0.270 |
Number of reflections | 5984 | |
<I/σ(I)> | 13.7 | 4.3 |
Completeness [%] | 94.0 | 96.3 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 298 | PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K |