9KL8

Co-crystal structure of human 8-oxoguanine glycosylase N149C mutant with DNA containing photocaged 8-oxoguanine after deprotection

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976254
Spacegroup name	P 65 2 2
Unit cell lengths	91.460, 91.460, 212.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.010 - 2.480
R-factor	0.2155
Rwork	0.213
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yqr
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.010	2.570
High resolution limit [Å]	2.480	2.480
Number of reflections	19518	3051
<I/σ(I)>	16.76	1.62
Completeness [%]	100.0	100
Redundancy	157	156
CC(1/2)	0.998	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 6000, calcium chloride, sodium cacodylate