4F5P
Open ternary mismatch complex of R283K DNA polymerase beta with a dATP analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-25 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.380, 79.240, 54.880 |
Unit cell angles | 90.00, 105.49, 90.00 |
Refinement procedure
Resolution | 22.109 - 1.850 |
R-factor | 0.2071 |
Rwork | 0.203 |
R-free | 0.24520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3isb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.231 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.000 | 2.510 | 1.920 |
High resolution limit [Å] | 1.850 | 2.330 | 1.850 |
Rmerge | 0.049 | 0.108 | 0.367 |
Number of reflections | 185280 | ||
<I/σ(I)> | 15.13 | 2.34 | |
Completeness [%] | 99.7 | 100 | 97.2 |
Redundancy | 4.9 | 5.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 50mM Imidazole, 350mM Sodium Acetate, 19% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |