4J7C

KtrAB potassium transporter from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.933400
Spacegroup name	P 1 21 1
Unit cell lengths	146.520, 140.190, 153.930
Unit cell angles	90.00, 105.69, 90.00

Refinement procedure

Resolution	147.440 - 3.500
R-factor	0.2588
Rwork	0.258
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pjz 2hmw
RMSD bond length	0.008
RMSD bond angle	1.385
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	148.186	55.003	3.480
High resolution limit [Å]	3.300	10.440	3.300
Rmerge		0.013	0.013
Rmeas		0.029	1.755
Rpim		0.018	1.110
Total number of observations		6315	27187
Number of reflections	87633
<I/σ(I)>	5.3	31.3	0.6
Completeness [%]	97.2	93.1	96.7
Redundancy	2.3	2.3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1M (N-(2-Acetamido)-iminodiacetic acid) buffer, 20% polyethylene glycol 400, 0.2M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K