6AKK

Crystal structure of the second Coiled-coil domain of SIKE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	C 2 2 21
Unit cell lengths	42.797, 110.871, 46.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.598 - 1.500
R-factor	0.2483
Rwork	0.246
R-free	0.26740
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.757
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.091	0.582
Rmeas	0.095
Rpim	0.026
Number of reflections	17636	873
<I/σ(I)>	32.5	5.1
Completeness [%]	97.6	100
Redundancy	13.4	14.1
CC(1/2)		0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.0 M (NH4)2HPO4 (ammonium dibasic phosphate); 0.1 M acetate pH 4.5