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 |
