7SG9

[mC-mC] DNA mismatch in a self-assembling rhombohedral lattice at pH 5.5

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	2021-07-18
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	106.006, 106.006, 93.781
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.800 - 3.810
R-factor	0.2346
Rwork	0.231
R-free	0.31360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6w
RMSD bond length	0.006
RMSD bond angle	0.946
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.603	65.603	4.096
High resolution limit [Å]	3.809	10.307	3.809
Number of reflections	2745	195	196
<I/σ(I)>	12.2	42.6	0.8
Completeness [%]	89.1	100	59.9
Redundancy	10.9		10.6
CC(1/2)	0.999	0.999	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	MOPS, Magnesium sulfate