7KK8

Fluoride channel Fluc-Ec2 mutant S81T 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	2019-02-21
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.91836
Spacegroup name	P 41
Unit cell lengths	87.060, 87.060, 143.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.440 - 2.700
R-factor	0.2184
Rwork	0.216
R-free	0.25600
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]	28.440	28.440	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.223	0.055	2.155
Rmeas	0.231	0.058	2.233
Rpim	0.062	0.016	0.584
Total number of observations	403450	11002	55590
Number of reflections	29241	798	3869
<I/σ(I)>	10.3	34.8	2
Completeness [%]	99.8	96.3	100
Redundancy	13.8	13.8	14.4
CC(1/2)	0.998	0.998	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1M ADA pH 6 0.1M AmSO4 31% PEG 600