6BY2

Closed and deep-inactivated conformation of KcsA-T75A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.2
Spacegroup name	I 4
Unit cell lengths	157.178, 157.178, 75.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.825 - 2.350
R-factor	0.2223
Rwork	0.221
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.153	0.104	0.447
Number of reflections	38148	1915	1715
<I/σ(I)>	7.67
Completeness [%]	99.1	95.1	91.1
Redundancy	3.7	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG400, 50 mM magnesium acetate, 50 mM sodium acetate