9Y1E
S180R human DNA polymerase beta, Binary complex templating dG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.494, 79.644, 55.013 |
| Unit cell angles | 90.00, 105.60, 90.00 |
Refinement procedure
| Resolution | 43.610 - 1.600 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.903 |
| Data reduction software | DIALS (3.8) |
| Data scaling software | Aimless (0.7.15) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.830 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.101 | 0.889 |
| Rmeas | 0.111 | 0.995 |
| Rpim | 0.044 | 0.439 |
| Number of reflections | 114653 | 2668 |
| <I/σ(I)> | 7.1 | 0.6 |
| Completeness [%] | 99.6 | 92 |
| Redundancy | 6.3 | 5.1 |
| CC(1/2) | 0.996 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 13-16% PEG 3350, 150-300 mM sodium acetate, 50 mM HEPES, 1 mM TECP 250uM protein with 300 uM DNA assembly mixed 1:1 with reagent |
