5WQP
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
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 | 2016-04-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.562, 74.901, 90.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.15634 |
Rwork | 0.155 |
R-free | 0.17992 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wqm |
RMSD bond length | 0.018 |
RMSD bond angle | 1.910 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.700 |
Number of reflections | 49982 |
<I/σ(I)> | 16.8 |
Completeness [%] | 99.9 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 1.26 M sodium phosphate mono basic monohydrate, 0.14 M potassium phosphate dibasic, pH 5.6 |