7DJS
Crystal structure of isopiperitenol dehydrogenase from Pseudomonas aeruginosa complexed with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.201, 108.582, 124.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.230 - 1.700 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x8h |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 100875 | 5009 |
<I/σ(I)> | 27 | |
Completeness [%] | 99.9 | |
Redundancy | 13 | |
CC(1/2) | 0.992 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 291 | 100mM MES-imidazole pH 6.25, 30mM sodium nitrate, 30mM disodium hydrogen phosphate, 30mM ammonium sulfate, 20% v/v PEG 500MME, 10% w/v PEG 20000 |