4IND

The Triple Jelly Roll Fold and Turret Assembly in an Archaeal Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95369
Spacegroup name	P 1
Unit cell lengths	81.774, 166.999, 186.975
Unit cell angles	81.84, 82.17, 81.44

Refinement procedure

Resolution	39.186 - 1.800
R-factor	0.1898
Rwork	0.188
R-free	0.21660
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.190	1.860
High resolution limit [Å]	1.760	1.760
Rmerge	0.123
Number of reflections	837015
<I/σ(I)>	6.4	0.4
Completeness [%]	88.0	63.9
Redundancy	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	10 mg/mL native protein, 0.1 M sodium phosphate/citric acid, pH 4.2, 30-40% PEG600, VAPOR DIFFUSION, SITTING DROP, temperature 291K
2	VAPOR DIFFUSION, SITTING DROP	4.2	291	10 mg/mL Se-Met protein, 0.1 M sodium phosphate/citric acid, pH 4.2, 30-40% PEG600, VAPOR DIFFUSION, SITTING DROP, temperature 291K