1MKX
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 273 |
Detector technology | AREA DETECTOR |
Detector | SIEMENS |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.520, 87.990, 101.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.200 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.280 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 7.000 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.101 * |
Total number of observations | 142959 * |
Number of reflections | 47039 |
Completeness [%] | 75.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 * | 38% AMMONIUM SULFATE, 0.25M AMMONIUM PHOSPHATE, PH 5.8, 1% POLYETHYLENE GLYCOL 4000 (DROP ONLY). |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7 (mg/ml) | |
2 | 1 | drop | ammonium phosphate | 0.25 (M) | pH6.0 |
3 | 1 | reservoir | ammonium sulfate | 38 (%) | |
4 | 1 | reservoir | ammonium phosphate | 0.25 (M) | pH5.8 |