4WD7

Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae by Zn-SAD phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-26
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.2821
Spacegroup name	P 21 21 21
Unit cell lengths	114.124, 160.587, 161.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.189 - 2.900
R-factor	0.2399
Rwork	0.239
R-free	0.25280
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.881
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.900
Number of reflections	66573
<I/σ(I)>	29.1
Completeness [%]	100.0
Redundancy	29.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.05 M zinc acetate, 6% v/v ethylene glycol, 0.1 M sodium cacodylate, pH 6.0, 6.6 % w/v PEG 8000