8DW4
Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-14 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.640, 85.550, 141.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.450 - 2.490 |
| R-factor | 0.2315 |
| Rwork | 0.231 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8dvp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.633 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.450 | 2.550 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 30778 | 2251 |
| <I/σ(I)> | 0.0498 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.989 | 0.017 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298.13 | PEG 4000, calcium acetate, ethylene glycol, Tris.HCl, b-mercaptoethanol |
