5TPY

Crystal structure of an exonuclease resistant RNA from Zika virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-03-02
Detector	RDI CMOS_8M
Wavelength(s)	1.0972
Spacegroup name	P 64 2 2
Unit cell lengths	111.679, 111.679, 90.826
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.839 - 2.805
R-factor	0.1933
Rwork	0.191
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pqv
RMSD bond length	0.006
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2499: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.839	2.910
High resolution limit [Å]	2.805	2.810
Rmerge	0.092	1.492
Number of reflections	15501
<I/σ(I)>	31.5	2.3
Completeness [%]	99.6	99.9
Redundancy	21.1	21.1
CC(1/2)		0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	drop: 1 uL 5 mg/mL RNA in 2.5 mM magnesium chloride, 10 mM HEPES-KOH pH 7.5 (heated to 65 C for 3 minutes, cooled at room temperature, 0.5 mM spermidine added, centrifuged for 10 minutes at 13000 x g) + 1 uL 50 mM sodium cacodylate pH 6.0, 150 mM NaCl, 4 mM CaCl2, 0.6 mM spermine, 36% 1,6-hexanediol. Crystals were flash-frozen in the mother liquor using liquid nitrogen for x-ray diffraction.