7MZ4
Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) in the template base paired with incoming dTTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97648 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.706, 80.183, 54.927 |
Unit cell angles | 90.00, 108.64, 90.00 |
Refinement procedure
Resolution | 20.088 - 2.076 |
R-factor | 0.2189 |
Rwork | 0.216 |
R-free | 0.26980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bpx |
RMSD bond length | 0.004 |
RMSD bond angle | 1.130 |
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] | 20.090 | 10.000 | 2.100 |
High resolution limit [Å] | 2.060 | 5.550 | 2.060 |
Rmerge | 0.094 | 0.042 | 0.396 |
Number of reflections | 27007 | 1401 | 1369 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 5.3 | 5.5 | 5.2 |
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) |