9VBS

Crystal structure of the coiled-coil of ALLO-1a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	92.300, 239.300, 71.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.150 - 2.401
R-factor	0.237
Rwork	0.236
R-free	0.26330
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.578
Data reduction software	XDS
Data scaling software	XDS
Phasing software	HKL2Map
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	2.550
High resolution limit [Å]	2.400	2.400
Number of reflections	59162	9384
<I/σ(I)>	8.41
Completeness [%]	99.1	97.4
Redundancy	3.33
CC(1/2)	0.998	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	sodium formate, sodium acetate