7E6O
Crystal structure of polyol dehydrogenase from Paracoccus denitrificans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.710, 86.892, 134.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.970 - 2.100 |
R-factor | 0.1624 |
Rwork | 0.160 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k2w |
RMSD bond length | 0.010 |
RMSD bond angle | 1.552 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 686828 | 2623 |
<I/σ(I)> | 20.37 | 2.9 |
Completeness [%] | 99.4 | |
Redundancy | 12.8 | |
CC(1/2) | 0.991 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 291 | 0.1 M MES, pH 6.5 15% (w/v) PEG 6000 5% (w/v) MPD |