6GDN

Holliday Junctions formed from Telomeric DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	49.937, 45.374, 63.828
Unit cell angles	90.00, 101.01, 90.00

Refinement procedure

Resolution	45.380 - 3.000
R-factor	0.2366
Rwork	0.234
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6DGH
RMSD bond length	0.008
RMSD bond angle	1.691
Data reduction software	xia2 (0.5.474-gb1e580cd-dials-1.8)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.380	45.380	2.750
High resolution limit [Å]	2.680	11.990	2.680
Rmerge	0.055	0.019	0.751
Rmeas	0.064	0.022	0.877
Rpim	0.033	0.011	0.447
Number of reflections	8053	106	574
<I/σ(I)>	10.7
Completeness [%]	99.9	98.3	99.8
Redundancy	3.6	3.5	3.6
CC(1/2)	0.999	1.000	0.459

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	297	0.04 M Magnesium acetate tetrahydrate, 0.05 M Sodium cacodylate trihydrate, 30% v/v (+/-)-2-Methyl-2,4-pentanediol.