6NKY
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-15 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.643, 80.158, 55.251 |
Unit cell angles | 90.00, 107.89, 90.00 |
Refinement procedure
Resolution | 21.982 - 2.094 |
R-factor | 0.2036 |
Rwork | 0.199 |
R-free | 0.25560 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.964 |
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 | 2.140 |
High resolution limit [Å] | 2.090 | 5.700 | 2.100 |
Rmerge | 0.065 | 0.057 | 0.208 |
Rmeas | 0.077 | 0.068 | 0.278 |
Rpim | 0.042 | 0.036 | 0.182 |
Number of reflections | 22805 | 1249 | 505 |
<I/σ(I)> | 15 | ||
Completeness [%] | 92.2 | 97.7 | 41.2 |
Redundancy | 2.9 | 3.4 | 1.6 |
CC(1/2) | 0.994 | 0.868 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 16-18% PEG 3350, 7.5, 50 mM Imidazole, 350 mM Sodium Acetate |