1K70
The Structure of Escherichia coli Cytosine Deaminase bound to 4-Hydroxy-3,4-Dihydro-1H-Pyrimidin-2-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-08 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | H 3 2 |
Unit cell lengths | 109.500, 109.500, 240.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 * - 1.800 |
R-factor | 0.177 * |
Rwork | 0.176 |
R-free | 0.20100 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.048 * | 0.174 |
Total number of observations | 331182 * | |
Number of reflections | 51159 * | |
<I/σ(I)> | 12.7 | |
Completeness [%] | 99.0 | 92.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 8000, magnesium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 11-14 (%(w/v)) | |
3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.3-7.7 |
4 | 1 | reservoir | 0.2 (M) |