4RQ3
Precatalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG) and dATP in the presence of CaCl2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2014-08-06 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.320, 79.680, 55.450 |
Unit cell angles | 90.00, 106.51, 90.00 |
Refinement procedure
Resolution | 47.290 - 2.000 |
R-factor | 0.1941 |
Rwork | 0.192 |
R-free | 0.24551 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kld |
RMSD bond length | 0.007 |
RMSD bond angle | 1.282 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.160 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.103 | 0.472 |
Number of reflections | 26643 | |
<I/σ(I)> | 7.3 | 2.2 |
Completeness [%] | 95.6 | 95 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 50 MM IMIDAZOLE, 350 MM SODIUM Acetate, 17% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |