4X0Q
Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite dCMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-21 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 99.704, 135.392, 159.819 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.927 - 3.900 |
R-factor | 0.2605 |
Rwork | 0.258 |
R-free | 0.31630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xop |
RMSD bond length | 0.014 |
RMSD bond angle | 1.169 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 3.900 |
Number of reflections | 31372 |
<I/σ(I)> | 12.5 |
Completeness [%] | 85.6 |
Redundancy | 22.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG 2000mme, MPD, potassium chloride, TRIS buffer, glycerol |