7YGO

DNA duplex containing 5OHU-Hg(II)-T base pairs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00910
Spacegroup name	P 31 2 1
Unit cell lengths	37.336, 37.336, 54.938
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.866 - 2.403
R-factor	0.2078
Rwork	0.204
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.939
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.866	27.866	2.470
High resolution limit [Å]	2.400	10.480	2.400
Rmerge	0.036	0.031	0.304
Rmeas	0.038	0.033	0.323
Total number of observations	33557
Number of reflections	3345	37	273
<I/σ(I)>	30.95	62.14	4.7
Completeness [%]	99.8	92.5	98.9
Redundancy	10.032	10.378	8.886
CC(1/2)	0.999	0.999	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MPD, spermine, potassium nitrate, MOPS