4QCA
Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant R167AD4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.140, 118.268, 121.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.450 - 1.900 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dof CHAIN A |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.113 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.570 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.597 |
| Number of reflections | 80549 | |
| <I/σ(I)> | 13.4 | 3.9 |
| Completeness [%] | 97.4 | 97.6 |
| Redundancy | 7.7 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 277 | 2:1:1 protein solution/water/reservoir (unbuffered 16% PEG3350, 0.15 M potassium fluoride, 10% glycerol), pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
