6O7A

Crystal structure of the LjCASTOR gating ring in the Ca2+-free state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	100.433, 116.015, 113.027
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	41.470 - 3.300
R-factor	0.2321
Rwork	0.229
R-free	0.28410
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.776
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	3.360
High resolution limit [Å]	3.300	3.300
Rmerge	0.083	0.548
Rmeas	0.096	0.637
Rpim	0.049	0.324
Number of reflections	35911	1776
<I/σ(I)>	18.9	2.91
Completeness [%]	99.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% w/v PEG3350, 100 mM lithium acetate