9BS2
Glycosylase MutY variant R149Q in complex with DNA containing d(8-oxo-G) paired with a product analog (THF) to 1.51 A resolution
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 | 37.500, 86.000, 140.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.510 |
| R-factor | 0.2065 |
| Rwork | 0.206 |
| R-free | 0.22980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.179 |
| 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] | 70.300 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.054 | 2.210 |
| Rmeas | 0.061 | 2.560 |
| Number of reflections | 136096 | 9284 |
| <I/σ(I)> | 12.2 | 0.51 |
| Completeness [%] | 98.7 | 90.9 |
| Redundancy | 4.86 | 3.37 |
| CC(1/2) | 0.999 | 0.124 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 278 | PEG 14%, 0.4 M calcium acetate, 2% ethylene glycol, pH 8.5, with microseed crystals from N146S 10X stock |
