6ROR

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)	0.91983
Spacegroup name	P 43 21 2
Unit cell lengths	38.473, 38.473, 90.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.423 - 2.601
R-factor	0.2385
Rwork	0.231
R-free	0.30330
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.14rc3_3199: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.390	45.390	2.720
High resolution limit [Å]	2.600	9.010	2.600
Rmerge	0.056	0.044	2.902
Rmeas	0.057	0.046	2.962
Rpim	0.013	0.012	0.590
Number of reflections	2401	84	276
<I/σ(I)>	26.7	56.6	1.4
Completeness [%]	100.0	99.5	100
Redundancy	22.5	16.5	24.3
CC(1/2)	1.000	1.000	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297	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