5VRW
Human DNA polymerase beta pre-catalytic 8-oxoG:dC extension complex with dTTP bound in non-planar conformation
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 | 2016-02-16 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.700, 79.500, 55.300 |
Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
Resolution | 52.850 - 2.580 |
R-factor | 0.2377 |
Rwork | 0.234 |
R-free | 0.30600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rpx |
RMSD bond length | 0.004 |
RMSD bond angle | 0.893 |
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] | 52.850 | 52.850 | 2.600 |
High resolution limit [Å] | 2.580 | 12.000 | 2.580 |
Rmerge | 0.066 | 0.015 | 0.406 |
Rmeas | 0.091 | 0.022 | 0.557 |
Total number of observations | 50422 | ||
Number of reflections | 25529 | 211 | 594 |
<I/σ(I)> | 11.46 | 35.59 | 2.02 |
Completeness [%] | 98.0 | 80.5 | 100 |
Redundancy | 1.975 | 1.82 | 1.965 |
CC(1/2) | 0.994 | 0.999 | 0.666 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM imidizole pH 7-7.5, 350 mM sodium acetate, 16-18 % PEG 3350 |