7P0W

Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing thymine 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	2021-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	59.776, 71.578, 138.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.650 - 1.120
R-factor	0.1249
Rwork	0.124
R-free	0.14300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oy7
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.880	1.140
High resolution limit [Å]	1.120	1.120
Rmerge	0.064	0.598
Number of reflections	114280	5266
<I/σ(I)>	17.7	2.3
Completeness [%]	99.4
Redundancy	12.6
CC(1/2)	0.999	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MgCl2, Na acetate pH5.0, MPD