2BQW
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-06-11 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.380, 71.900, 78.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 200.000 - 2.950 |
Rwork | 0.184 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lpg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.584 |
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 | 3.000 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.100 | 0.310 |
Number of reflections | 6939 | |
<I/σ(I)> | 13.7 | 5.4 |
Completeness [%] | 97.4 | 97.6 |
Redundancy | 4.8 | 4.86 |
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 298.0 K |