8DWD
Adenine glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with an AP site generated by the enzyme acting on purine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.740, 85.920, 140.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.960 - 1.680 |
| R-factor | 0.2229 |
| Rwork | 0.222 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6u7t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.029 |
| 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] | 43.000 | 1.720 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.090 | 1.900 |
| Number of reflections | 100381 | 7356 |
| <I/σ(I)> | 9.41 | 1.08 |
| Completeness [%] | 99.6 | 98.5 |
| Redundancy | 6.76 | 7 |
| CC(1/2) | 0.998 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | PEG 4000, calcium acetate, ethylene glycol, Tris-HCl, beta-mercaptoethanol |
