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 |
