3UXJ
Crystal Structure of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with NADP and PreQ0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.387, 71.416, 71.358 |
| Unit cell angles | 110.01, 119.54, 99.46 |
Refinement procedure
| Resolution | 27.009 - 1.401 |
| R-factor | 0.134 |
| Rwork | 0.132 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s19 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.844 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_920)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 194723 | |
| <I/σ(I)> | 17.6 | 5 |
| Completeness [%] | 94.1 | 67.1 |
| Redundancy | 2.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.2 M sodium chloride, 0.1 M sodium potassium phosphate pH 6.2, 20 % (w/v) PEG-1000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
