6V64
Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.869, 86.599, 50.516 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.160 - 2.290 |
R-factor | 0.2 |
Rwork | 0.197 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ppb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.766 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.380 |
High resolution limit [Å] | 2.290 | 2.300 |
Rmerge | 0.334 | |
Number of reflections | 12020 | 1045 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 94.9 | |
Redundancy | 5.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Na/K tartrate pH 7.5 14% PEG 3350 |