6O7C

Crystal structure of the LjCASTOR gating ring in the Ca2+ and K+ state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99996
Spacegroup name	I 4
Unit cell lengths	125.569, 125.569, 82.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.710 - 1.850
R-factor	0.1747
Rwork	0.173
R-free	0.20960
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.728
Data reduction software	HKL-2000 (HKL2000_v712-Linux)
Data scaling software	HKL-2000 (HKL2000_v712-Linux)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.063	1.670
Rmeas	0.068	1.799
Rpim	0.025	0.668
Number of reflections	55045	2759
<I/σ(I)>	23.4	1
Completeness [%]	99.7
Redundancy	7.4	7.2
CC(1/2)		0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	21% w/v PEG550 MME, 50 mM magnesium acetate, 100 mM Tris, pH 8.2