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 |