7OY7

Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing cytosine opposite to lesion)

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	2020-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	59.599, 71.832, 138.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.870 - 1.700
R-factor	0.1683
Rwork	0.166
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oue
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]	46.180	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.088	0.978
Number of reflections	33127	10787
<I/σ(I)>	12	1.5
Completeness [%]	99.9
Redundancy	8.9
CC(1/2)	0.998	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	MgCl2, Na acetate pH 5.0, MPD