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 |