5X87

Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation L177T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	114.485, 160.573, 162.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.730 - 3.140
R-factor	0.2002
Rwork	0.199
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wd8
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.730	3.240
High resolution limit [Å]	3.140	3.140
Rmerge	0.061	2.206
Rpim	0.061	0.859
Number of reflections	101018	5204
<I/σ(I)>	11.91	1.15
Completeness [%]	99.9	99.5
Redundancy	7.4	7.6
CC(1/2)	0.998	0.429

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