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 |
