4BAH
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 | 22.510 - 1.940 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.19350 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.510 | 1.990 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.050 | 0.210 |
Number of reflections | 25709 | |
<I/σ(I)> | 21.6 | 6.6 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |