6DZ1

Studies of Ion Transport in K+ Channels

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS PILATUS 300K
Wavelength(s)	3.35
Spacegroup name	I 4
Unit cell lengths	68.070, 68.070, 89.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.154 - 2.260
R-factor	0.1799
Rwork	0.178
R-free	0.21120
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.087
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.150	2.330
High resolution limit [Å]	2.260	2.260
Rmerge	0.037	0.129
Rpim	0.019	0.082
Number of reflections	18417
<I/σ(I)>	33.4	10.7
Completeness [%]	97.8	93.4
Redundancy	8.2	6.3
CC(1/2)	0.994	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Prepared by mixing equal volumes of protein solution in buffer (20mM Tris:HCl pH 7.8, 100mM KCl, and 4mM Anagrade DM) with well solution (72.5%MPD, 100mM KCl, and 100mM MES pH 6)