2UWP
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 |
Detector technology | CCD |
Collection date | 2003-06-16 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.448, 71.963, 78.671 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ezq |
RMSD bond length | 0.015 |
RMSD bond angle | 1.624 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.100 | 0.480 |
Number of reflections | 36452 | |
<I/σ(I)> | 4.4 | 1.8 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.75 | 18% PEG6K, 50MM MES PH 5.75, 10MM CACL2, 150MM NACL |