4X0P
Ternary complex of human DNA polymerase theta C-terminal domain binding ddATP opposite a tetrahydrofuran AP site analog
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 | 2012-02-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 126.921, 136.971, 247.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.994 - 3.911 |
R-factor | 0.2438 |
Rwork | 0.241 |
R-free | 0.30160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qsy |
RMSD bond length | 0.015 |
RMSD bond angle | 1.363 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.994 |
High resolution limit [Å] | 3.900 |
Rmerge | 0.205 |
Number of reflections | 74685 |
<I/σ(I)> | 16.7 |
Completeness [%] | 99.7 |
Redundancy | 16.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG 2000mme, MPD, potassium chloride, calcium chloride, TRIS buffer, glycerol |