3RJ4
Crystal Structure of 7-cyano-7-deazaguanine Reductase, QueF from Vibrio cholerae
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 | 2010-07-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.405, 71.841, 81.935 |
| Unit cell angles | 90.00, 131.74, 90.00 |
Refinement procedure
| Resolution | 35.067 - 1.750 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.19100 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.270 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.715 | 1.750 |
| Number of reflections | 53457 | |
| <I/σ(I)> | 18.1 | 8.2 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4.9 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Lithium sulfate, 0.1 M TRIS pH 8.5, 16 % (w/v) PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
