7JLH

Structure of Centromeric Satellite III Non-canonical Duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	196
Detector technology	PIXEL
Collection date	2019-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.07110
Spacegroup name	P 21 21 21
Unit cell lengths	39.522, 40.217, 55.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.540 - 1.570
R-factor	0.224
Rwork	0.221
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	175d
RMSD bond length	0.017
RMSD bond angle	1.668
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XDS (Jan 31, 2020)
Phasing software	PHASER (1.18_3845)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.540	1.630
High resolution limit [Å]	1.570	1.570
Number of reflections	12855	643
<I/σ(I)>	15.1	2.5
Completeness [%]	99.7	99
Redundancy	5.9	5.1
CC(1/2)	0.998	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Tris-Acetate, potassium acetate, magnesium acetate, MES monohydrate, 2-Methyl-2,4-pentanediol