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 |
