6NL0
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CF2 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 | 2018-06-18 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.317, 79.933, 55.119 |
Unit cell angles | 90.00, 107.97, 90.00 |
Refinement procedure
Resolution | 21.234 - 1.970 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.23740 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.957 |
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 | 2.000 |
High resolution limit [Å] | 1.970 | 5.350 | 1.970 |
Rmerge | 0.045 | 0.041 | 0.442 |
Rmeas | 0.053 | 0.048 | 0.551 |
Rpim | 0.027 | 0.025 | 0.325 |
Total number of observations | 103402 | ||
Number of reflections | 28630 | 1500 | 1129 |
<I/σ(I)> | 14.9 | ||
Completeness [%] | 96.5 | 97.8 | 76.4 |
Redundancy | 3.6 | 3.7 | 2.4 |
CC(1/2) | 0.996 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 16-18% PEG 3350 |