2XC5
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 | 2004-05-04 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.980, 105.980, 50.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.940 - 1.700 |
R-factor | 0.19057 |
Rwork | 0.188 |
R-free | 0.23208 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN HOUSE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.288 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0062) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.100 | 0.890 |
Number of reflections | 28575 | |
<I/σ(I)> | 10.08 | 2.56 |
Completeness [%] | 83.0 | 95.5 |
Redundancy | 9.21 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PH 6.5 |