4PW3
Crystal structure of the sulfite dehydrogenase SorT from Sinorhizobium meliloti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.064, 92.225, 109.433 |
| Unit cell angles | 90.00, 89.74, 90.00 |
Refinement procedure
| Resolution | 47.640 - 2.350 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bpb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.159 | 0.669 |
| Number of reflections | 77971 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 98.4 | 99.4 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 0.1M HEPES PH 7.5, 8% ETHYLENE GLYCOL, 0.1M MANGANESE (II) CHLORIDE TETRAHYDRATE, 17.5% PEG 10000 , VAPOR DIFFUSION, HANGING DROP |
