9Y1I
S180R human DNA polymerase beta, Ternary complex dG:dCmpCpp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-20 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.776, 79.887, 55.359 |
| Unit cell angles | 90.00, 107.52, 90.00 |
Refinement procedure
| Resolution | 23.780 - 2.150 |
| R-factor | 0.1616 |
| Rwork | 0.156 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.669 |
| Data reduction software | PROTEUM PLUS (3) |
| Data scaling software | PROTEUM PLUS (3) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.059 | 0.299 |
| Rmeas | 0.068 | 0.363 |
| Rpim | 0.034 | 0.202 |
| Number of reflections | 43866 | 2052 |
| <I/σ(I)> | 17.8 | 3.6 |
| Completeness [%] | 98.9 | 89.41 |
| Redundancy | 3.86 | 2.72 |
| CC(1/2) | 0.998 | 0.871 |
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 |
