2J34
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-28 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.867, 73.147, 80.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.010 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 1EZQ |
RMSD bond length | 0.017 |
RMSD bond angle | 1.513 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.070 | 0.490 |
Number of reflections | 21497 | |
Completeness [%] | 94.2 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.85 | 18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL |