5A9F
Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-30 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 115.767, 133.740, 162.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.111 - 3.200 |
| R-factor | 0.2287 |
| Rwork | 0.226 |
| R-free | 0.27310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aga |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.137 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.100 | 3.420 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.050 | 0.720 |
| Number of reflections | 20899 | |
| <I/σ(I)> | 14.9 | 1.8 |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 19% PEG 3350, 0.2M POTASSIUM CITRATE TRIBASIC |
