1D6W
STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 1999-01-05 |
Detector | RIGAKU RAXIS II |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.430, 71.670, 72.450 |
Unit cell angles | 90.00, 101.00, 90.00 |
Refinement procedure
Resolution | 9.000 - 2.000 |
R-factor | 0.174 |
RMSD bond length | 0.015 |
RMSD bond angle | 0.040 |
Phasing software | X-PLOR |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.200 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.057 | 0.158 |
Total number of observations | 33066 * | |
Number of reflections | 17371 | |
Completeness [%] | 72.0 | 42 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 24% PEG 8000, 0.1M Sodium Phosphate buffer, Protein concentration: 3.5 mg/ml, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 24 (%) | |
2 | 1 | reservoir | sodium phosphate | 0.1 (M) |