3S19
Crystal Structure of the R262L mutant of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with preQ0
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 | 2010-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 |
Unit cell lengths | 71.326, 71.330, 71.328 |
Unit cell angles | 109.98, 119.51, 99.50 |
Refinement procedure
Resolution | 30.979 - 1.501 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.17600 |
Structure solution method | MIR |
Starting model (for MR) | 3bp1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.443 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: dev_725)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 155040 | |
<I/σ(I)> | 20 | 7.8 |
Completeness [%] | 92.5 | 57.3 |
Redundancy | 2.3 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.1 M Citrate pH 5.5, 20 % PEG3000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |