2CN0
Complex of Recombinant Human Thrombin with a Designed Inhibitor
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 | 2005-10-10 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.640, 71.410, 72.520 |
Unit cell angles | 90.00, 100.35, 90.00 |
Refinement procedure
Resolution | 71.430 - 1.300 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.20400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2CF8.PDB |
RMSD bond length | 0.013 |
RMSD bond angle | 1.597 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.070 | 0.370 |
Number of reflections | 83900 | |
<I/σ(I)> | 14.2 | 5.1 |
Completeness [%] | 96.4 | 100 |
Redundancy | 4.67 | 4.14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | PH 7.40 |