6CTR
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHF (R & S isomers), beta, gamma dCTP analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-03 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.810, 79.712, 55.437 |
Unit cell angles | 90.00, 107.72, 90.00 |
Refinement procedure
Resolution | 23.740 - 1.850 |
R-factor | 0.175 |
Rwork | 0.172 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fms |
RMSD bond length | 0.007 |
RMSD bond angle | 0.883 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.051 | 0.298 |
Number of reflections | 33294 | |
<I/σ(I)> | 15.9 | |
Completeness [%] | 92.6 | 48 |
Redundancy | 3.3 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 16-18% PEG 3350 |