1KTT
Thrombin inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-12-13 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.900, 70.900, 72.500 |
Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 2.100 |
R-factor | 0.211 * |
Rwork | 0.220 |
R-free | 0.25400 * |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.072 |
Total number of observations | 32012 * |
Number of reflections | 18131 |
Completeness [%] | 88.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | other * | Skrzypczak-Jankun, E., (1991) J. Mol. Biol., 221, 1379. * |