7KKB

Fluoride channel Fluc-Ec2 mutant S81C with bromide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-02-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.91836
Spacegroup name	P 41
Unit cell lengths	87.170, 87.170, 142.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.650 - 2.900
R-factor	0.2229
Rwork	0.221
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a43
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.650	46.650	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.370	0.073	3.496
Rmeas	0.386	0.079	3.635
Rpim	0.108	0.026	0.992
Total number of observations	295813	11444	49372
Number of reflections	23623	906	3785
<I/σ(I)>	9.8	28	2.5
Completeness [%]	99.9	99.4	100
Redundancy	12.5	12.6	13
CC(1/2)	0.981	0.979	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1M glycine pH 9 36% PEG 600