6NKZ
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma methylene dGTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-19 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.642, 80.043, 55.249 |
Unit cell angles | 90.00, 107.92, 90.00 |
Refinement procedure
Resolution | 21.327 - 2.010 |
R-factor | 0.1898 |
Rwork | 0.186 |
R-free | 0.23460 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.906 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
Rmerge | 0.071 | 0.037 | 0.439 |
Rmeas | 0.083 | 0.043 | 0.552 |
Rpim | 0.044 | 0.023 | 0.330 |
Number of reflections | 27031 | 1434 | 892 |
<I/σ(I)> | 9.6 | ||
Completeness [%] | 96.5 | 98.2 | 63.9 |
Redundancy | 3.4 | 3.6 | 2 |
CC(1/2) | 0.998 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 16-18% PEG 3350, 50 mM Imidazole, 350 mM Sodium Acetate |