1GKQ
D-Hydantoinase (Dihydropyrimidinase) from Thermus sp. in space group P212121
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 283 |
Detector technology | IMAGE PLATE |
Collection date | 1997-11-06 |
Detector | MAC SCIENCE DIP-2030H |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.200, 161.500, 168.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.600 |
R-factor | 0.1876 |
Rwork | 0.188 |
R-free | 0.21100 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gkp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.540 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.117 | 0.363 |
Total number of observations | 416020 * | |
Number of reflections | 70394 | |
<I/σ(I)> | 12 | 4.9 |
Completeness [%] | 99.9 * | 99.9 |
Redundancy | 5.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 6.5 | 30% (W/V) PEG 6000, 100 MM CACODYLATE/HCL PH 6.5, 200 MM SODIUM ACETATE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG6000 | 26 (%) | |
2 | 1 | reservoir | cacodylate | 100 (mM) | pH6.5 |
3 | 1 | reservoir | sodium acetate | 200 (mM) | |
4 | 1 | drop | protein | 10 (mg/ml) |