2J2U
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Collection date | 2003-11-30 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.862, 72.862, 78.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ezq |
RMSD bond length | 0.013 |
RMSD bond angle | 1.524 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.380 |
Number of reflections | 144420 | |
Completeness [%] | 98.7 | 99.9 |
Redundancy | 5.54 | 5.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.85 | 18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL |