6NKV
Ternary complex crystal structure 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 | PIXEL |
Collection date | 2017-07-18 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.636, 79.707, 55.412 |
Unit cell angles | 90.00, 107.63, 90.00 |
Refinement procedure
Resolution | 23.734 - 1.850 |
R-factor | 0.1667 |
Rwork | 0.164 |
R-free | 0.20280 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.919 |
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 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.032 | 0.023 | 0.183 |
Rmeas | 0.038 | 0.027 | 0.217 |
Rpim | 0.019 | 0.014 | 0.115 |
Total number of observations | 119833 | ||
Number of reflections | 32184 | 1818 | 830 |
<I/σ(I)> | 17.8 | ||
Completeness [%] | 89.7 | 98.2 | 46.4 |
Redundancy | 3.7 | 3.7 | 3.1 |
CC(1/2) | 0.999 | 0.966 |
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 |