4BAN
Thrombin in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.410, 71.510, 72.160 |
Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
Resolution | 21.360 - 1.870 |
R-factor | 0.1692 |
Rwork | 0.167 |
R-free | 0.20350 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.920 | 1.920 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.040 | 0.230 |
Number of reflections | 28292 | |
<I/σ(I)> | 35.1 | 9 |
Completeness [%] | 98.0 | 95.6 |
Redundancy | 7.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |