7SGA

[C-S] DNA mismatch in a self-assembling rhombohedral lattice

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	108.614, 108.614, 92.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.190 - 3.150
R-factor	0.2328
Rwork	0.232
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6w
RMSD bond length	0.007
RMSD bond angle	0.987
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.984	65.984	3.974
High resolution limit [Å]	3.150	10.263	3.150
Number of reflections	2869	204	206
<I/σ(I)>	8.8	29.2	2.2
Completeness [%]	63.7
Redundancy	10.7
CC(1/2)	1.000	1.000	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	MOPS, Magnesium sulfate