7ZX1
Crystal structure of Pol theta polymerase domain in complex with compound 22
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 | 2018-04-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.589, 172.292, 289.209 |
| Unit cell angles | 90.00, 91.22, 90.00 |
Refinement procedure
| Resolution | 50.005 - 2.829 |
| Rwork | 0.228 |
| R-free | 0.26020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7zus |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.445 |
| 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] | 110.770 | 2.930 |
| High resolution limit [Å] | 2.829 | 2.829 |
| Rmeas | 0.057 | 0.532 |
| Number of reflections | 135467 | 9869 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 97.7 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.967 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 15% (w/v) PEG 3350, 0.1 M Bis-Tris propane pH 8.9, 0.2 M sodium citrate tribasic dihydrate |
