2JKH
Factor Xa - cation inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.910, 74.120, 77.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.450 - 1.250 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bok |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.661 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.340 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.040 | 0.600 |
| Number of reflections | 75840 | |
| <I/σ(I)> | 18.21 | 2.43 |
| Completeness [%] | 97.0 | 91.3 |
| Redundancy | 6.98 | 5.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
