6CSM

Crystal structure of the natural light-gated anion channel GtACR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	56.780, 150.030, 90.690
Unit cell angles	90.00, 97.43, 90.00

Refinement procedure

Resolution	45.166 - 2.900
R-factor	0.2545
Rwork	0.253
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ug9
RMSD bond length	0.002
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.166	45.166	3.080
High resolution limit [Å]	2.900	8.590	2.900
Rmerge	0.736	0.190	5.496
Rmeas	0.760	0.196	5.695
Number of reflections	33398	1322	5358
<I/σ(I)>	3.69	14.12	0.57
Completeness [%]	99.9	99.3	100
Redundancy	14.52	14.328	13.789
CC(1/2)	0.971	0.986	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	10-12% (w/v) Polypropylene glycol P 400 (PPG P400), 100 mM MES pH 6.0, 100 mM potassium formate, 1-3% 1-butanol.
1	LIPIDIC CUBIC PHASE		293	10-12% (w/v) Polypropylene glycol P 400 (PPG P400), 100 mM MES pH 6.0, 100 mM potassium formate, 1-3% 1-butanol.