1E60
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.553, 115.920, 229.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.000 |
| R-factor | 0.194 * |
| Rwork | 0.194 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.032 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.083 | |
| Total number of observations | 465630 * | |
| Number of reflections | 123010 | |
| <I/σ(I)> | 5.6 | 5.1 |
| Completeness [%] | 98.1 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 * | 20-22 * | 0.1M HEPES BUFFER, PH 7.5 2M AMMONIUM SULPHATE 3-4% PEG 400 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium phosphate | 5 (mM) | |
| 2 | 1 | drop | enzyme | ||
| 3 | 1 | reservoir | Na+ HEPES | 100 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 2 (M) | |
| 5 | 1 | reservoir | PEG400 | 3-4 (%) |
