1AWF
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
Experimental procedure
Source details | ENRAF-NONIUS |
Temperature [K] | 290 |
Detector technology | DIFFRACTOMETER |
Collection date | 1993-12-15 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.920, 71.840, 73.010 |
Unit cell angles | 90.00, 100.39, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.200 |
R-factor | 0.196 |
Rwork | 0.196 |
Structure solution method | DIFFERENCE FOURIER |
RMSD bond length | 0.016 * |
RMSD bond angle | 3.100 * |
Data reduction software | CCP4 |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 * | |
Number of reflections | 16555 | |
Completeness [%] | 98.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | 20 * | CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 22% PEG4K, 200MM NACL. THE SOLUTION CONTAINED 25%DMSO. PROTEIN CONCENTRATION OF 5MG/ML. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | PEG4000 | 12.5 (%) | |
3 | 1 | drop | HEPES | 50 (mM) | |
4 | 1 | drop | 100 (mM) | ||
5 | 1 | reservoir | PEG4000 | 30 (%) | |
6 | 1 | reservoir | HEPES | 100 (mM) | |
7 | 1 | reservoir | 1.6 (M) |