6NUA

DNA-protein crosslink between E. coli YedK and ssDNA containing an abasic site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-10-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1271
Spacegroup name	P 1 21 1
Unit cell lengths	61.258, 41.886, 81.423
Unit cell angles	90.00, 95.78, 90.00

Refinement procedure

Resolution	40.504 - 1.640
R-factor	0.1733
Rwork	0.171
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2icu
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.098	0.059	0.500
Rmeas	0.110	0.066	0.595
Rpim	0.049	0.029	0.315
Number of reflections	49711	2670	2447
<I/σ(I)>	14.8		1.9
Completeness [%]	97.4	99.4	95.2
Redundancy	4.4	5	2.9
CC(1/2)	0.989	0.994	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	294	16% (wt/vol) PEG 3350, 0.2 M KH2PO4