7OLB

Crystal structure of Pab-AGOG, an 8-oxoguanine DNA glycosylase from Pyrococcus abyssi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	35.570, 35.920, 46.490
Unit cell angles	95.50, 91.89, 108.41

Refinement procedure

Resolution	46.170 - 1.100
R-factor	0.1444
Rwork	0.144
R-free	0.15720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xg7
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.170	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.069	0.374
Number of reflections	84275	4021
<I/σ(I)>	14.5	4.4
Completeness [%]	95.7
Redundancy	7
CC(1/2)	0.996	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	LiCl, tri-Na citrate, PEG6000