5WZ2

Crystal structure of Zika virus NS5 methyltransferase bound to SAM and RNA analogue (m7GpppA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97907
Spacegroup name	C 1 2 1
Unit cell lengths	75.131, 78.274, 136.380
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	42.456 - 2.600
R-factor	0.2048
Rwork	0.202
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l9k
RMSD bond length	0.004
RMSD bond angle	0.913
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.161
Number of reflections	24447
<I/σ(I)>	9.362
Completeness [%]	99.8
Redundancy	4.7
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.2 M magnesium chloride, 0.1 M HEPES pH 7.0, 20 % w/v PEG 6000