7KKR

Fluoride channel Fluc-Ec2 wild-type 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	2017-12-04
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.91840
Spacegroup name	P 41
Unit cell lengths	87.620, 87.620, 143.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.420 - 3.110
R-factor	0.2392
Rwork	0.237
R-free	0.27620
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]	34.420	34.420	3.320
High resolution limit [Å]	3.110	8.800	3.110
Rmerge	0.504	0.076	2.381
Rmeas	0.524	0.079	2.472
Rpim	0.143	0.022	0.662
Total number of observations	260565	11719	49081
Number of reflections	19540	880	3526
<I/σ(I)>	7.2	22.4	2
Completeness [%]	99.8	98.5	100
Redundancy	13.3	13.3	13.9
CC(1/2)	0.996	0.999	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 ADA pH 6.2 0.1 AMSO4 31% PEG 600