4PDV

Structure of K+ selective NaK mutant in barium and potassium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	78
Detector technology	CCD
Collection date	2009-06-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	I 4
Unit cell lengths	68.065, 68.065, 89.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.795 - 1.821
R-factor	0.1988
Rwork	0.197
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ouf
RMSD bond length	0.008
RMSD bond angle	1.200
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.821
Number of reflections	128478
<I/σ(I)>	37
Completeness [%]	99.5	100
Redundancy	7.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside