6ROS

REP related 18-mer DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.979491
Spacegroup name	P 43 21 2
Unit cell lengths	38.440, 38.440, 89.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.325 - 2.700
R-factor	0.2498
Rwork	0.242
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Deposition ID D_1200013700
RMSD bond length	0.011
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc3_3199: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.061	1.811
Rmeas	0.062	1.850
Rpim		0.372
Number of reflections	2126	290
<I/σ(I)>	24.7	2.2
Completeness [%]	99.9	100
Redundancy	22.5	23.9
CC(1/2)	1.000	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Natrix crystallization screen (Hampton Research) precipitant 22-26% (+/-)-2-Methyl-2,4-pentanediol buffer 0.04 M Sodium cacodylate trihydrate salt 0.04 M Magnezium chloride hexahydrate 0.08 M Strontium chloride hexahydrate additive 0.012 M spermine tetrahydrochloride