8CU2

Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 100ns, with eightfold extrapolation of structure factor differences

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	283.15
Detector technology	CCD
Collection date	2020-03-21
Detector	RAYONIX MX340-HS
Wavelength(s)	1.02-1.15
Spacegroup name	I 4
Unit cell lengths	68.816, 68.816, 90.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.590 - 2.010
R-factor	0.3318
Rwork	0.331
R-free	0.35200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Laue NaK2K OFF no electric field PDB 8CTN
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	Precognition
Data scaling software	Precognition
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.076	0.076
Number of reflections	10679	556
<I/σ(I)>	43.18	7.56
Completeness [%]	75.4	31.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM KCl, 200mM potassium citrate tribasic monohydrate, 100mM MES (pH 6.0 or 6.5), 56%-68% 2-methyl-2,4-pentanediol (MPD)