4IQI
Crystal Structure of 7-cyano-7-deazaguanine Reductase, QueF from Vibrio cholerae O1 biovar El Tor complexed with cytosine
Replaces: 3RJBExperimental 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 | 2008-10-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.122, 90.936, 73.166 |
| Unit cell angles | 90.00, 90.10, 90.00 |
Refinement procedure
| Resolution | 26.891 - 1.500 |
| R-factor | 0.154 |
| Rwork | 0.151 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 3BP1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.548 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
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 | 97144 | |
| <I/σ(I)> | 9.5 | 2.3 |
| Completeness [%] | 97.1 | 78.4 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Magnesium chloride, 0.1 M TRIS pH 8.5, 16 % (w/v) PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
