6N2R
Binary complex crystal structure of DNA polymerase Beta with 5-carboxy-dC (5-caC) at the templating position
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-05 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.485, 79.073, 55.064 |
Unit cell angles | 90.00, 109.20, 90.00 |
Refinement procedure
Resolution | 21.839 - 2.100 |
R-factor | 0.2146 |
Rwork | 0.210 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3isb |
RMSD bond length | 0.008 |
RMSD bond angle | 0.989 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.082 | 0.043 | 0.248 |
Rmeas | 0.098 | 0.051 | 0.312 |
Rpim | 0.054 | 0.028 | 0.186 |
Number of reflections | 23774 | 1325 | 614 |
<I/σ(I)> | 8.5 | ||
Completeness [%] | 90.7 | 97.6 | 45.9 |
Redundancy | 3 | 3.2 | 2.2 |
CC(1/2) | 0.997 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 16-18% PEG 3350 |