5K3X
Crystal Structure of the sulfite dehydrogenase, SorT R78K mutant 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 | 2013-10-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.470, 95.720, 109.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.100 - 1.600 |
R-factor | 0.15644 |
Rwork | 0.155 |
R-free | 0.17962 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pw9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.501 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.100 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.132 | 1.057 |
Number of reflections | 102224 | |
<I/σ(I)> | 9.6 | 1.6 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 6.8 | 6.6 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M PCB buffer pH 7, 25% PEG1500 |