6CSN

Crystal structure of the designed light-gated anion channel iC++ at pH8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	60.520, 142.520, 91.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.546 - 2.900
R-factor	0.2331
Rwork	0.232
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ug9
RMSD bond length	0.002
RMSD bond angle	0.971
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]	47.546	47.546	3.080
High resolution limit [Å]	2.900	8.670	2.900
Rmerge	0.338	0.049	4.781
Rmeas	0.372	0.054	5.260
Number of reflections	9042	372	1468
<I/σ(I)>	7.05	25.9	0.86
Completeness [%]	99.3	95.4	99.4
Redundancy	5.878	5.368	5.892
CC(1/2)	0.988	0.999	0.291

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.5	293	28% PEG 350MME, 100 mM Tris pH 8.5, 100 mM ammonium phosphate dibasic, 7-8% formamide
1	LIPIDIC CUBIC PHASE	8.5	293	28% PEG 350MME, 100 mM Tris pH 8.5, 100 mM ammonium phosphate dibasic, 7-8% formamide