4XYP

Crystal structure of a piscine viral fusion 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	2013-12-14
Detector	RAYONIX MX-300
Wavelength(s)	0.979490
Spacegroup name	H 3 2
Unit cell lengths	42.874, 42.874, 232.245
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.707 - 2.100
R-factor	0.201
Rwork	0.196
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.234
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.710	38.710	2.160
High resolution limit [Å]	2.100	8.920	2.100
Rmerge	0.066	0.036	0.495
Rpim	0.032	0.023	0.247
Total number of observations	23796	325	1453
Number of reflections	5037
<I/σ(I)>	13.7	27.8	3.2
Completeness [%]	97.6	93.8	88.6
Redundancy	4.7	3.7	4
CC(1/2)	0.999	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1:1 volume ratio of 30mg/mL protein solution and 0.2 M lithium sulfate, 0.1 M sodium acetate, pH 4.5, 2 mg/mL tetramethylthionine chloride and 50% (v/v) PEG 400