7SG8

[T-T] 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	106.887, 106.887, 94.594
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.080 - 3.710
R-factor	0.1769
Rwork	0.176
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6w
RMSD bond length	0.008
RMSD bond angle	1.049
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]	66.160	66.160	3.978
High resolution limit [Å]	3.710	10.313	3.710
Number of reflections	3226	203	207
<I/σ(I)>	10.6	29.4	0.9
Completeness [%]	89.4	99.5
Redundancy	11.4
CC(1/2)	0.999	0.999	0.115

Crystallization Conditions

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