6PEI
Structure of sorbitol dehydrogenase from Sinorhizobium meliloti 1021
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2016-11-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5419 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.969, 89.391, 87.140 |
Unit cell angles | 90.00, 118.12, 90.00 |
Refinement procedure
Resolution | 39.290 - 2.100 |
R-factor | 0.1955 |
Rwork | 0.192 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e6p |
RMSD bond length | 0.008 |
RMSD bond angle | 1.464 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.700 | 9.620 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.117 | 0.586 |
Number of reflections | 65492 | 4602 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.8 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 50 mM sodium acetate, 100 mM HEPES pH 7.4, 18% PEG 3000 |