5VS0
Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 80 s
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-12 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.600, 80.300, 55.400 |
Unit cell angles | 90.00, 107.60, 90.00 |
Refinement procedure
Resolution | 52.810 - 2.100 |
R-factor | 0.2048 |
Rwork | 0.202 |
R-free | 0.26210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rpx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.490 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.810 | 52.810 | 2.200 |
High resolution limit [Å] | 2.100 | 12.000 | 2.100 |
Rmerge | 0.066 | 0.029 | 0.317 |
Rmeas | 0.092 | 0.040 | 0.438 |
Total number of observations | 90731 | ||
Number of reflections | 47060 | 170 | 6261 |
<I/σ(I)> | 8.84 | 24.04 | 2.45 |
Completeness [%] | 96.8 | 64.9 | 98.7 |
Redundancy | 1.928 | 1.753 | 1.906 |
CC(1/2) | 0.995 | 0.995 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM imidazole pH 7.0-7.5, 350 mM sodium acetate, 16-18% PEG 3350 |