7UYY
The crystal structure of the Pseudomonas aeruginosa aldehyde dehydrogenase encoded by the PA4189 gene in complex with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | H 3 2 |
Unit cell lengths | 184.518, 184.518, 251.136 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.920 - 2.700 |
R-factor | 0.1374 |
Rwork | 0.135 |
R-free | 0.18130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b4r |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.960 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.113 | 0.382 |
Number of reflections | 44964 | 6493 |
<I/σ(I)> | 20 | 7.9 |
Completeness [%] | 99.9 | |
Redundancy | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.15 | 0.17 M Lithium Sulfate monohydrate, 0.085 M Tris Hydrochloride pH 8.5, 26.6% w/v Polyethylene Glycol 4000, 15% v/v Glycerol |