7MZ3
Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) as the template base in a 1-nucleotide gapped DNA
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 | 2013-11-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97648 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.519, 79.031, 54.870 |
Unit cell angles | 90.00, 106.42, 90.00 |
Refinement procedure
Resolution | 19.758 - 2.418 |
R-factor | 0.2071 |
Rwork | 0.204 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bpx |
RMSD bond length | 0.003 |
RMSD bond angle | 0.678 |
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 | 2.470 |
High resolution limit [Å] | 2.418 | 6.520 | 2.430 |
Rmerge | 0.112 | 0.044 | 0.586 |
Number of reflections | 17016 | 885 | 833 |
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.7 | 100 | 97 |
Redundancy | 5.2 | 5.2 | 4.7 |
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) |