8CTU

Crystal structure of a K+ selective NaK mutant (NaK2K) at Room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	292
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.49380
Spacegroup name	I 4
Unit cell lengths	68.914, 68.914, 90.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.730 - 1.650
R-factor	0.1642
Rwork	0.163
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Room temperature monochromatic NaK2K structure
RMSD bond length	0.006
RMSD bond angle	0.955
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	49726	2467
<I/σ(I)>	21.392	2.156
Completeness [%]	99.4	100
Redundancy	6.2	5.8
CC(1/2)		0.743

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)