7ZX0
Crystal structure of Pol theta polymerase domain in complex with compound 5
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97623 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.050, 172.020, 288.610 |
Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
Resolution | 50.005 - 2.990 |
Rwork | 0.218 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7zus |
RMSD bond length | 0.008 |
RMSD bond angle | 1.438 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 147.750 | 3.010 |
High resolution limit [Å] | 2.930 | 2.930 |
Rmeas | 0.084 | 1.169 |
Number of reflections | 122599 | 9044 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 99.2 | |
Redundancy | 3.4 | |
CC(1/2) | 0.998 | 0.472 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.9 | 285 | 15% (w/v) PEG 3350, 0.1 M Bis-Tris propane pH 8.9, 0.2 M sodium citrate tribasic dihydrate |