5EBW

KcsA with G77ester 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	2014-02-09
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	156.910, 156.910, 75.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.227 - 2.300
R-factor	0.2249
Rwork	0.222
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4c
RMSD bond length	0.003
RMSD bond angle	0.661
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]	51.505	51.505	2.230
High resolution limit [Å]	2.115	6.690	2.120
Rmerge	0.122	0.049	1.018
Rmeas	0.132
Rpim	0.049	0.020	0.564
Total number of observations	350427	12750	20637
Number of reflections	50630
<I/σ(I)>	10.8	34	1.1
Completeness [%]	96.1	99.6	73.5
Redundancy	6.9	7.3	3.7

Crystallization Conditions

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