8THN

KcsA M96V mutant with Y78ester in High K+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	155.587, 155.587, 75.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.010 - 2.900
R-factor	0.249
Rwork	0.246
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.010	3.080
High resolution limit [Å]	2.900	2.900
Number of reflections	20234	3264
<I/σ(I)>	5.1
Completeness [%]	99.9
Redundancy	6.3
CC(1/2)	0.980	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.25	291	27% PEG 400 (v/v), 50 mM magnesium acetate, 50 mM MES pH 6.25