5EC1

KcsA with V76ester mutation

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]	80
Detector technology	CMOS
Collection date	2015-06-03
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	155.600, 155.600, 75.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.776 - 2.750
R-factor	0.2463
Rwork	0.244
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4c
RMSD bond length	0.002
RMSD bond angle	0.504
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.013	55.013	2.900
High resolution limit [Å]	2.750	8.700	2.750
Rmerge	0.204	0.040	2.356
Rmeas	0.212
Rpim	0.055	0.011	0.653
Total number of observations	344861	11211	47949
Number of reflections	23691
<I/σ(I)>	13.4	788	47949
Completeness [%]	100.0	99.6	100
Redundancy	14.6	14.2	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG400