4R9O
Crystal Structure of Putative Aldo/Keto Reductase from Salmonella enterica
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 | CCD |
| Collection date | 2013-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.692, 86.868, 74.162 |
| Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
| Resolution | 37.391 - 1.949 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 1OG6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.061 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1745)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 65800 | |
| <I/σ(I)> | 10.2 | 1.77 |
| Completeness [%] | 96.9 | 93.4 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Potassium sodium tartrate tetrahydrate, 20 %(w/v) PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
