6CTK
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHF-R/S isomers, beta, gamma dTTP analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-12 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.640, 79.240, 55.382 |
Unit cell angles | 90.00, 107.08, 90.00 |
Refinement procedure
Resolution | 21.237 - 2.153 |
R-factor | 0.1846 |
Rwork | 0.179 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fms |
RMSD bond length | 0.008 |
RMSD bond angle | 1.059 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.069 | 0.032 | 0.487 |
Total number of observations | 77035 | ||
Number of reflections | 22680 | 2327 | 2015 |
<I/σ(I)> | 13.3 | ||
Completeness [%] | 98.7 | 98.9 | 89.2 |
Redundancy | 3.4 | 3.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 16-18% PEG 3350 |