4DMR
REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.970, 80.970, 230.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.16 * |
| Rwork | 0.160 |
| R-free | 0.19617 |
| Structure solution method | DIFFERENCE MAPS USING OXIDISED STRUCTURE |
| Starting model (for MR) | OXIDISED STRUCTURE FOR DIFFERENCES IN DIFFERENCE MAP |
| RMSD bond length | 0.008 * |
| 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] | 17.300 | 2.030 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.096 | 0.282 |
| Total number of observations | 227149 * | |
| Number of reflections | 58725 | |
| <I/σ(I)> | 6 | 2.3 |
| Completeness [%] | 96.6 | 90.5 * |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 | Bailey, S., (1996) Acta Crystallogr.,Sect.D, 52, 194. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 24-28 (%) | |
| 2 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 3 | 1 | reservoir | ethanol | 20 (%) | |
| 4 | 1 | drop | protein | 7 (mg/ml) | |
| 5 | 1 | drop | sodium phosphate | 5 (mM) |
