5T9Y

Crystal structure of the infectious salmon anemia virus (ISAV) hemagglutinin-esterase protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	142.419, 93.289, 96.722
Unit cell angles	90.00, 122.01, 90.00

Refinement procedure

Resolution	47.720 - 1.800
R-factor	0.1373
Rwork	0.137
R-free	0.16770
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.720	47.720	1.830
High resolution limit [Å]	1.800	9.860	1.800
Rmerge	0.057	0.029	0.498
Number of reflections	99190
<I/σ(I)>	15.1
Completeness [%]	99.9	98.7	100
Redundancy	4.2	3.9	4.2
CC(1/2)	0.999	0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	[0.2 M] magnesium formate, 20% PEG 3350, w/ a [0.8 M] sodium phosphate, [0.8 M] potassium phosphate, [0.1 M] HEPES pH 7.5 solution as a 1:6 ratio drop additive