8FAY
Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.686, 116.422, 118.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.280 - 1.910 |
R-factor | 0.1812 |
Rwork | 0.180 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.139 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.300 | 2.020 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.085 | 1.779 |
Rmeas | 0.104 | 2.213 |
Number of reflections | 177017 | 27556 |
<I/σ(I)> | 7.53 | 0.56 |
Completeness [%] | 97.6 | 94.1 |
Redundancy | 2.7 | 2.4 |
CC(1/2) | 0.998 | 0.209 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 0.1 M Bis-Tris [pH 5.5]. 0.2 M Ammonium sulfate, 22% PEG 3350 |