6CSO

Crystal structure of the designed light-gated anion channel iC++ at pH6.5

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	2017-07-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	59.960, 141.100, 90.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.053 - 3.200
R-factor	0.2234
Rwork	0.221
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ug9
RMSD bond length	0.003
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.053	47.053	3.390
High resolution limit [Å]	3.200	9.560	3.200
Rmerge	0.518	0.102	3.313
Rmeas	0.551	0.109	3.527
Number of reflections	6602	284	1020
<I/σ(I)>	6.27	22.03	1.19
Completeness [%]	99.9	98.3	100
Redundancy	8.884	8.535	8.698
CC(1/2)	0.978	0.997	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	30% PEG 350MME, 100 mM sodium phosphate pH 6.5, 200 mM sodium malonate