7N7H

X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9893
Spacegroup name	P 21 21 21
Unit cell lengths	36.875, 50.533, 137.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.110 - 1.420
R-factor	0.1526
Rwork	0.152
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vsl
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.110	29.110	1.440
High resolution limit [Å]	1.420	7.780	1.420
Rmerge	0.082	0.045	0.521
Rmeas	0.086	0.048	0.548
Rpim	0.024	0.014	0.170
Total number of observations		3891	24010
Number of reflections	49635	370	2381
<I/σ(I)>	17	37.1	3.8
Completeness [%]	100.0	98.7	100
Redundancy	12.4	10.5	10.1
CC(1/2)	0.999	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Tris-HCl, pH 7, 20% (w/v) PEG 2000-MME