2DMR
DITHIONITE REDUCED 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 | 1996-06-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 81.030, 81.030, 230.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.181 * |
| Rwork | 0.181 |
| R-free | 0.26300 |
| Structure solution method | DIFFERENCE MAPS FROM OXIDISED STRUCTURE (BNL-5270) |
| RMSD bond length | 0.005 * |
| 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] | 36.000 | 2.990 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.081 | 0.164 |
| Total number of observations | 74350 * | |
| Number of reflections | 17134 | |
| <I/σ(I)> | 8.63 | 4.6 |
| Completeness [%] | 87.8 | 91 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.8 | 22 * | 0.1M CITRATE BUFFER, PH 4.8 - 5.2 20 - 3% PEG 4000 20% ETHANOL. CRYSTAL SOAKED IN 0.1M DITHIONITE. |
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 (%) |
