5EC2

KcsA with V76ester+G77dA mutations

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	2014-10-31
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	154.870, 154.870, 75.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.503 - 2.300
R-factor	0.233
Rwork	0.230
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4c
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.755	54.755	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.098	0.033	1.479
Rmeas	0.105
Rpim	0.039	0.013	0.612
Total number of observations	291481	9341	39508
Number of reflections	39959
<I/σ(I)>	12.4	41.6	1.2
Completeness [%]	100.0	98.7	100
Redundancy	7.3	7.1	6.8

Crystallization Conditions

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