4MSW

Y78 ester mutant of KcsA 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
Wavelength(s)	1.00003
Spacegroup name	I 4
Unit cell lengths	154.530, 154.530, 75.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.423 - 2.060
R-factor	0.1994
Rwork	0.196
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.050
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.000	42.000	2.100
High resolution limit [Å]	2.060	5.590	2.060
Rmerge	0.077	0.039	0.566
Number of reflections	54941
<I/σ(I)>	13.3
Completeness [%]	99.8	99.2	97.2
Redundancy	7.2	7.4	4.7

Crystallization Conditions

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