2XBV
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-04 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.940, 105.940, 50.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.520 - 1.660 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.22440 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | BUSTER-TNT (2.9.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.060 | 0.490 |
Number of reflections | 34052 | |
<I/σ(I)> | 19.62 | 4.26 |
Completeness [%] | 99.3 | 97.3 |
Redundancy | 8.6 | 7.54 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PH 6.5 |