6PEJ
Structure of sorbitol dehydrogenase from Sinorhizobium meliloti 1021 bound to sorbitol
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 | 2017-04-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5419 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.298, 88.298, 87.317 |
Unit cell angles | 90.00, 117.39, 90.00 |
Refinement procedure
Resolution | 39.080 - 2.000 |
R-factor | 0.1968 |
Rwork | 0.194 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pei |
RMSD bond length | 0.015 |
RMSD bond angle | 1.927 |
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] | 39.600 | 10.000 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.139 | 0.522 |
Number of reflections | 74395 | 4478 |
<I/σ(I)> | 5.4 | |
Completeness [%] | 98.0 | |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM sodium acetate, 100 mM HEPES pH 7.4, 18% PEG 3000, 20% sorbitol |