4PDM

Crystal Structure of K+ selective NaK mutant in rubidium

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 315r
Wavelength(s)	1.00
Spacegroup name	I 4
Unit cell lengths	68.011, 68.011, 89.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.005 - 1.580
R-factor	0.2057
Rwork	0.204
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ouf
RMSD bond length	0.007
RMSD bond angle	1.065
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.580
Number of reflections	27782
<I/σ(I)>	48.3
Completeness [%]	99.9
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