7AYY

Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 41 21 2
Unit cell lengths	86.025, 86.025, 427.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.478 - 2.000
Rwork	0.207
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rlw
RMSD bond length	0.006
RMSD bond angle	1.413
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.030	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.299	2.650
Rmeas	0.311	2.790
Rpim	0.087	0.886
Number of reflections	110134	5306
<I/σ(I)>	8.1	1.2
Completeness [%]	100.0	100
Redundancy	24.1	19
CC(1/2)	0.998	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.12 M Alcohols, 0.1 M Buffer System 2 pH 7.5 and 48 % v/v Precipitant Mix 4 (Morpheus screen, Molecular Dimensions)