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 |