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 |
