7MZ8
Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) at N-1 of the template base paired with incoming dTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0007 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.498, 78.827, 54.578 |
| Unit cell angles | 90.00, 108.07, 90.00 |
Refinement procedure
| Resolution | 19.707 - 2.600 |
| R-factor | 0.2045 |
| Rwork | 0.201 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bpx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.236 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 10.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 7.010 | 2.620 |
| Rmerge | 0.101 | 0.058 | 0.642 |
| Number of reflections | 13461 | 700 | 645 |
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.7 | 99.6 | 99.7 |
| Redundancy | 3.3 | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 14% to 23% PEG3400, and 350 mM sodium acetate in 50 mM imidazole (pH 7.5) |
