4GH5
Crystal structure of S-2-hydroxypropyl coenzyme M dehydrogenase (S-HPCDH)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 80 |
Detector technology | IMAGE PLATE |
Collection date | 2010-09-02 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 116.071, 127.921, 58.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.425 - 1.600 |
R-factor | 0.1722 |
Rwork | 0.171 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cfc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.152 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.063 | 0.444 |
Number of reflections | 113574 | |
<I/σ(I)> | 25.75 | 1.92 |
Completeness [%] | 16.0 | 86 |
Redundancy | 6.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.35M ammonium acetate, 27% polyethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |