6NKX
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with dGTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-18 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.516, 79.884, 55.200 |
Unit cell angles | 90.00, 107.99, 90.00 |
Refinement procedure
Resolution | 26.250 - 1.980 |
R-factor | 0.1842 |
Rwork | 0.181 |
R-free | 0.23200 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.945 |
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 | 2.010 |
High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
Rmerge | 0.067 | 0.041 | 0.503 |
Rmeas | 0.080 | 0.050 | 0.673 |
Rpim | 0.044 | 0.028 | 0.441 |
Total number of observations | 84760 | ||
Number of reflections | 28079 | 1496 | 966 |
<I/σ(I)> | 11.5 | ||
Completeness [%] | 96.4 | 99.1 | 65.9 |
Redundancy | 3 | 3.1 | 1.6 |
CC(1/2) | 0.997 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 16-18% PEG 3350 |