5WQM
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 109.150, 109.150, 142.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.350 - 2.600 |
| R-factor | 0.19317 |
| Rwork | 0.190 |
| R-free | 0.23304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wxb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.103 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rpim | 0.030 | 0.299 |
| Number of reflections | 27161 | 1291 |
| <I/σ(I)> | 24.5 | 3 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 8.3 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 4M sodium formate |
