5EW4

Crystal structure of C9ORF72 Antisense CCCCGG repeat RNA associated with Lou Gehrig's disease and frontotemporal dementia, crystallized with Sr2+

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	2014-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	41.020, 47.615, 58.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.923 - 1.470
R-factor	0.2179
Rwork	0.215
R-free	0.23890
Structure solution method	AB INITIO
RMSD bond length	0.024
RMSD bond angle	0.508
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	ACORN
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.470	3.990	1.470
Rmerge	0.032	0.019	0.542
Rmeas	0.036	0.022	0.648
Rpim	0.016	0.010	0.343
Total number of observations	90931
Number of reflections	20000
<I/σ(I)>	14.1
Completeness [%]	98.6	91.7	89.4
Redundancy	4.5	4.4	2.9
CC(1/2)		0.998	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.04 M sodium cacodylate, 50 mM KCl, 0.04 M LiCl, 0.012 M spermine, 0.08 M strontium chloride, 10% (v/v) (+/-)-2-methyl-2,4-pentanediol, equilibrated against 35% (v/v) (+/-)-2-methyl-2,4-pentanediol