6IBQ

Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	293
Detector technology	CCD
Collection date	2011-08-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	40.000, 40.000, 69.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.037 - 1.550
R-factor	0.2073
Rwork	0.192
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	485d
RMSD bond length	0.004
RMSD bond angle	0.680
Data reduction software	XDS (20180808)
Data scaling software	XSCALE (20180808)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.157	0.367
Rmeas	0.179	0.455
Number of reflections	5485	304
<I/σ(I)>	6.1	1.8
Completeness [%]	91.5	69.7
Redundancy	3.9	2
CC(1/2)	0.988	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	6	300	RNA solution: 10 mg/mL in 10 mM Na-cacodylate pH 6.0, 5 mM MgCl2. Reservoir solution: 2.6 M ammonium sulfate, 50 mM Na-cacodylate pH 6.0, 5 mM MgSO4, 1 mM spermine. Crystallization and crystallographic analysis were performed using the ChipX microfluidic device.