2XC0
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 | 2004-03-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.410, 105.410, 50.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.540 - 2.050 |
| R-factor | 0.18684 |
| Rwork | 0.184 |
| R-free | 0.24008 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.270 |
| 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 | 2.150 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.100 | 0.470 |
| Number of reflections | 19023 | |
| <I/σ(I)> | 16.03 | 5.23 |
| Completeness [%] | 99.2 | 96.7 |
| Redundancy | 13.9 | 12.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PH 6.5 |
