2BDY
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 |
Collection date | 2004-06-07 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54179 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.918, 71.649, 71.234 |
Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
Resolution | 70.710 - 1.610 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.426 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.710 | 1.700 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.132 | 0.355 |
Number of reflections | 43774 | |
<I/σ(I)> | 3.4 | 2.1 |
Completeness [%] | 97.9 | 91.9 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 27% PEG8000, 0.1M sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |