4PDR

Crystal Structure of a K+ selective NaK mutant in Barium and Sodium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	78
Detector technology	CCD
Collection date	2013-11-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9999
Spacegroup name	I 4
Unit cell lengths	68.042, 68.042, 89.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.810 - 1.850
R-factor	0.201
Rwork	0.200
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ouf
RMSD bond length	0.008
RMSD bond angle	1.091
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	18778
<I/σ(I)>	39.2
Completeness [%]	99.2
Redundancy	7.4

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