1O0D
Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 295 |
Detector technology | CCD |
Collection date | 1998-02-01 |
Detector | SIEMENS |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.880, 71.960, 73.520 |
Unit cell angles | 90.00, 101.06, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.440 |
Rwork | 0.199 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.410 * |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.078 | 0.320 * |
Total number of observations | 29541 * | |
Number of reflections | 12245 | |
<I/σ(I)> | 16.042 | 1.754 |
Completeness [%] | 90.0 | 49.2 |
Redundancy | 2.1 | 1.23 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 8.5 | 298 | PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |