8GD7
Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor
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 | PIXEL |
Collection date | 2022-11-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 171.433, 171.433, 63.167 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.860 - 3.240 |
R-factor | 0.2297 |
Rwork | 0.228 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.511 |
Data reduction software | HKL-2000 (v722) |
Data scaling software | HKL-2000 (v722) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.490 | 3.300 |
High resolution limit [Å] | 3.240 | 3.240 |
Rmerge | 0.264 | 2.411 |
Rmeas | 0.272 | 2.521 |
Rpim | 0.063 | 0.704 |
Number of reflections | 16950 | 751 |
<I/σ(I)> | 7.9 | 1 |
Completeness [%] | 98.4 | 85.3 |
Redundancy | 17.4 | 9.6 |
CC(1/2) | 0.996 | 0.408 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.24 M Sodium citrate, 18% (w/v) PEG 3350, 0.1 M Bis Tris Propane pH 7.5 |