1DMR
OXIDIZED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.880, 80.880, 229.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.820 |
| R-factor | 0.148 * |
| Rwork | 0.147 |
| R-free | 0.18367 |
| Structure solution method | ISOMORPHOUS REPLACEMENT AND MOLECULAR REPLACEMENT |
| Starting model (for MR) | DMSO REDUCTASE FROM RHODOBACTER SPHAEROIDES |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.510 | 1.940 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.078 | 0.269 |
| Total number of observations | 283133 * | |
| Number of reflections | 66800 | |
| <I/σ(I)> | 7.4 | 2.8 |
| Completeness [%] | 97.4 | 91 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 | 22 * | 0.1M CITRATE BUFFER, PH 4.8 - 5.2 20 - 23% PEG 4000 20% ETHANOL, pH 5.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 8 (mg/ml) | |
| 2 | 1 | drop | sodium citrate | 0.1 (M) | |
| 3 | 1 | drop | ethanol | 20 (%) | |
| 4 | 1 | drop | PEG4000 | 10 (%) | |
| 5 | 1 | reservoir | PEG4000 | 25 (%) |
