7KK9

Fluoride channel Fluc-Ec2 mutant S81A/T82A 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	2018-06-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.91836
Spacegroup name	P 41
Unit cell lengths	87.460, 87.460, 147.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.920 - 3.100
R-factor	0.2312
Rwork	0.230
R-free	0.25240
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]	41.920	41.920	3.310
High resolution limit [Å]	3.100	8.770	3.100
Rmerge	0.730	0.071	6.203
Rmeas	0.758	0.075	6.433
Rpim	0.202	0.022	1.697
Total number of observations	273453	12422	50754
Number of reflections	20107	905	3616
<I/σ(I)>	8.5	25.9	2.1
Completeness [%]	99.9	99.2	100
Redundancy	13.6	13.7	14
CC(1/2)	0.998	0.998	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 M ADA pH 6 0.1M AMSO4 31% PEG 600