9VR3

Trapped reaction intermediate of the DNA Repair Enzyme Endonuclease VIII with DNA containing G opposite the crosslink

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979183
Spacegroup name	P 43 2 2
Unit cell lengths	77.027, 77.027, 164.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.380 - 1.850
R-factor	0.19582
Rwork	0.194
R-free	0.23671
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.727
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.380	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	42300	2227
<I/σ(I)>	12.8
Completeness [%]	98.2
Redundancy	21.7
CC(1/2)	0.999	0.168

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	1.8M Ammonium-sulfate, 0.1M sodium-citrate pH 6.0