8E24
Human DNA polymerase theta in complex with allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-04 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 263.739, 66.287, 156.662 |
| Unit cell angles | 90.00, 126.14, 90.00 |
Refinement procedure
| Resolution | 126.520 - 2.340 |
| R-factor | 0.2332 |
| Rwork | 0.231 |
| R-free | 0.26620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x0q |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.464 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 126.520 | 2.490 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmeas | 0.101 | |
| Number of reflections | 74032 | 9002 |
| <I/σ(I)> | 8.92 | 2.16 |
| Completeness [%] | 79.9 | 60.6 |
| Redundancy | 2.7 | 2.07 |
| CC(1/2) | 0.994 | 0.422 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 16% PEG 3350, 0.2M diammonium tartrate, 2% glycerol |
