10MN

Crystal structure of human OGG1 (WT) in a product bound state in the presence of the agonist F51

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	90.740, 90.740, 210.815
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.290 - 2.100
R-factor	0.2088
Rwork	0.206
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.626
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.290	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.182
Rmeas	0.187
Rpim	0.042
Number of reflections	30916	2487
<I/σ(I)>	13.5
Completeness [%]	100.0	100
Redundancy	19.7
CC(1/2)	0.999	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	50 mM MES, pH 6.0, 16-23% PEG6000, 100 mM calcium acetate, 4.5 mM F51, cryoprotectant: 25% ethylene glycol