1K6W
The Structure of Escherichia coli Cytosine Deaminase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-12-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.011 |
Spacegroup name | H 3 2 |
Unit cell lengths | 109.150, 109.150, 240.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 * - 1.750 |
R-factor | 0.156 * |
Rwork | 0.155 |
R-free | 0.17400 * |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.412 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 1.860 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.047 | 0.074 |
Total number of observations | 362081 * | |
Number of reflections | 55774 * | |
<I/σ(I)> | 42.7 | 26.8 |
Completeness [%] | 99.8 | 98.6 * |
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) |