1YPM
X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.652, 71.721, 71.331 |
Unit cell angles | 90.00, 99.73, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.850 |
R-factor | 0.1913 |
Rwork | 0.191 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 0.024 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.053 | 0.315 |
Number of reflections | 27275 | |
<I/σ(I)> | 15.7 | 3.2 |
Completeness [%] | 94.9 | 91.6 |
Redundancy | 1.4 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |