9Y1D
S180R human DNA polymerase beta, Binary complex templating dA
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 | 54.319, 79.320, 54.910 |
| Unit cell angles | 90.00, 105.68, 90.00 |
Refinement procedure
| Resolution | 43.660 - 1.700 |
| R-factor | 0.1626 |
| Rwork | 0.159 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.224 |
| Data reduction software | iMOSFLM (7.4.0) |
| 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] | 43.660 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.083 | 0.386 |
| Rmeas | 0.099 | 0.465 |
| Rpim | 0.052 | 0.254 |
| Number of reflections | 91118 | 2611 |
| <I/σ(I)> | 7.4 | 2.2 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.992 | 0.784 |
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 |
