5WWP

Crystal structure of Middle East respiratory syndrome coronavirus helicase (MERS-CoV nsp13)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97776
Spacegroup name	P 61 2 2
Unit cell lengths	185.675, 185.675, 185.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.950 - 3.000
R-factor	0.234
Rwork	0.232
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Coot
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.950	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.081	0.786
Number of reflections	71189
<I/σ(I)>	11.21
Completeness [%]	99.6	99
Redundancy	3.38	3.94
CC(1/2)	0.998	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M Tris-HCl, pH 8.5, 1M ammonium sulfate, 15% (v/v) glycerol