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 |
