5EW7

Crystal structure of C9ORF72 Antisense CCCCGG repeat RNA associated with Lou Gehrig's disease and frontotemporal dementia, crystallized with Ba2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.91967
Spacegroup name	P 21 21 21
Unit cell lengths	41.134, 47.659, 59.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.196 - 1.750
R-factor	0.2369
Rwork	0.235
R-free	0.25750
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ew4
RMSD bond length	0.017
RMSD bond angle	0.419
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.049	0.020
Rmeas	0.053	0.022
Rpim	0.023	0.010	0.506
Total number of observations	70731
Number of reflections	12281
<I/σ(I)>	9.7
Completeness [%]	99.9	97.7	100
Redundancy	5.8	5.2	5.3
CC(1/2)		0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.04 M sodium cacodylate, 50 mM KCl, 0.08 M NaCl, 0.012 M spermine, 0.02 M barium chloride, 10% (v/v) (+/-)-2-methyl-2,4-pentanediol, equilibrated against 35% (v/v) (+/-)-2-methyl-2,4-pentanediol