6BQO

Structure of a dual topology fluoride channel with monobody S8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	.98
Spacegroup name	C 1 2 1
Unit cell lengths	114.920, 39.850, 109.870
Unit cell angles	90.00, 107.39, 90.00

Refinement procedure

Resolution	27.969 - 2.800
R-factor	0.2229
Rwork	0.220
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nkq
RMSD bond length	0.002
RMSD bond angle	0.410
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.969	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	11986
<I/σ(I)>	11.68
Completeness [%]	99.6
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	293	26% PEG 550MME, 0.1M sodium citrate, pH 5.0