9Y1H
S180R human DNA polymerase beta, Ternary complex dA:dUmpNpp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-23 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.404, 79.224, 55.467 |
| Unit cell angles | 90.00, 107.29, 90.00 |
Refinement procedure
| Resolution | 26.480 - 1.960 |
| R-factor | 0.1574 |
| Rwork | 0.152 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.843 |
| 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] | 26.480 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.056 | 0.423 |
| Rmeas | 0.062 | 0.536 |
| Rpim | 0.027 | 0.324 |
| Number of reflections | 54511 | 2709 |
| <I/σ(I)> | 18.7 | 2.1 |
| Completeness [%] | 98.8 | 90.21 |
| Redundancy | 4.7 | 2.1 |
| CC(1/2) | 0.998 | 0.736 |
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 |
