3OEC
Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 67.860, 120.570, 134.560 |
Unit cell angles | 90.00, 94.05, 90.00 |
Refinement procedure
Resolution | 45.740 - 1.950 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iy8 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.536 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.089 | 0.316 |
Number of reflections | 77636 | |
<I/σ(I)> | 10.23 | 2.9 |
Completeness [%] | 98.9 | 96.8 |
Redundancy | 3.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 80MM NA-CACOCYLATE PH 6.5, 14.4% PEG 8000, 20% GLYCEROL, protein AT 29.5MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 290K |