7P9Z

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	C 1 2 1
Unit cell lengths	61.848, 68.775, 68.424
Unit cell angles	90.00, 90.35, 90.00

Refinement procedure

Resolution	45.990 - 1.330
R-factor	0.1746
Rwork	0.174
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oy7
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.420	1.350
High resolution limit [Å]	1.330	1.330
Rmerge	0.044	0.498
Number of reflections	66075	3311
<I/σ(I)>	17.2	2.2
Completeness [%]	99.5
Redundancy	6.5
CC(1/2)	0.999	0.924

Crystallization Conditions

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