1R8W
Native structure of the B12-independent glycerol dehydratase from clostridium butyricum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2003-06-01 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 103.434, 212.912, 199.498 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.160 - 2.500 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.20300 |
Structure solution method | Single Hg Derivative |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.160 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.110 | |
Number of reflections | 75084 | |
<I/σ(I)> | 29.7 | |
Completeness [%] | 98.4 | 93.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Capillary Batch | 6.5 | 277 | PEG 3350, tri-ammonium citrate, pH 6.5, Capillary Batch, temperature 270K |