9Y1J
S180R human DNA polymerase beta, Ternary complex dT:dAmpCpp
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 | 50.772, 79.178, 55.525 |
| Unit cell angles | 90.00, 107.57, 90.00 |
Refinement procedure
| Resolution | 42.710 - 1.550 |
| R-factor | 0.1525 |
| Rwork | 0.149 |
| R-free | 0.18250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.306 |
| 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] | 44.010 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.068 | 0.488 |
| Rmeas | 0.074 | 0.560 |
| Rpim | 0.029 | 0.265 |
| Number of reflections | 118749 | 2868 |
| <I/σ(I)> | 15.6 | 2.4 |
| Completeness [%] | 99.8 | 96.1 |
| Redundancy | 6.3 | 4.2 |
| CC(1/2) | 0.999 | 0.739 |
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 |
