4PPX
DNA Polymerase Beta E295K with Spiroiminodihydantoin in Templating Position
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 104 |
Detector technology | IMAGE PLATE |
Collection date | 2012-10-23 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.276, 79.102, 54.742 |
Unit cell angles | 90.00, 105.40, 90.00 |
Refinement procedure
Resolution | 13.684 - 2.080 |
R-factor | 0.1814 |
Rwork | 0.177 |
R-free | 0.21710 |
Starting model (for MR) | 4m9g |
RMSD bond length | 0.002 |
RMSD bond angle | 0.666 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 14.000 | 14.000 | 2.150 |
High resolution limit [Å] | 2.080 | 4.440 | 2.080 |
Rmerge | 0.050 | 0.028 | 0.261 |
Number of reflections | 25842 | ||
<I/σ(I)> | 16.5 | ||
Completeness [%] | 96.4 | 99.7 | 80.7 |
Redundancy | 3.3 | 3.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 14% PEG3350, 300 mM sodium acetate, pH 9.0, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |