9NKE
Dpo4 DNA polymerase (R336A) in complex with DNA containing an 8oxoG template lesion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-08 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.309, 103.575, 105.842 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.670 - 2.900 |
| R-factor | 0.204 |
| Rwork | 0.198 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qz7 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.615 |
| Data reduction software | HKL-2000 (v222) |
| Data scaling software | HKL-2000 (v222) |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.010 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.073 | 0.845 |
| Rmeas | 0.081 | |
| Rpim | 0.035 | 0.397 |
| Number of reflections | 24064 | 12740 |
| <I/σ(I)> | 13.9 | 2 |
| Completeness [%] | 96.6 | 97.9 |
| Redundancy | 5.1 | 5.3 |
| CC(1/2) | 0.999 | 0.685 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | calcium acetate, HEPES, PEG-3350 |
