4U7C
Structure of DNA polymerase kappa in complex with benzopyrene adducted DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-05-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.640, 130.170, 166.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.111 - 2.800 |
R-factor | 0.2133 |
Rwork | 0.212 |
R-free | 0.25230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oh2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.057 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.111 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.070 | 0.671 |
Number of reflections | 34235 | |
<I/σ(I)> | 12.5 | 2 |
Completeness [%] | 98.7 | 98.4 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | PEG 400, ammonium iodide |