1E61
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-04-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.189, 118.141, 235.163 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.900 |
| R-factor | 0.178 * |
| Rwork | 0.178 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.029 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.910 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 0.220 |
| Total number of observations | 367035 * | |
| Number of reflections | 121768 | |
| <I/σ(I)> | 5.4 | 2.8 |
| Completeness [%] | 78.2 | 52.9 |
| Redundancy | 3 | 2.6 |
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 (%) |
