6N2S
Ternary 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 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-06 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.066, 79.631, 55.427 |
Unit cell angles | 90.00, 106.46, 90.00 |
Refinement procedure
Resolution | 25.222 - 2.457 |
R-factor | 0.2112 |
Rwork | 0.202 |
R-free | 0.28960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fms |
RMSD bond length | 0.009 |
RMSD bond angle | 1.117 |
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 | 2.490 |
High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
Rmerge | 0.093 | 0.049 | 0.472 |
Rmeas | 0.112 | 0.058 | 0.596 |
Rpim | 0.061 | 0.032 | 0.358 |
Total number of observations | 46211 | ||
Number of reflections | 14763 | 762 | 641 |
<I/σ(I)> | 11 | ||
Completeness [%] | 98.6 | 97.2 | 86.9 |
Redundancy | 3.1 | 3.2 | 2.2 |
CC(1/2) | 0.996 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 16-18% PEG 2000 Monomethyl Ether |