7L17

Crystal structure of sugar-bound melibiose permease MelB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	126.364, 126.364, 104.334
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.890 - 3.050
R-factor	0.2627
Rwork	0.259
R-free	0.29350
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.536
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	PHENIX (dev_3936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.895	3.260
High resolution limit [Å]	3.050	3.050
Rmerge	0.109	1.370
Rmeas	0.114	1.430
Rpim	0.034	0.419
Number of reflections	18680	3342
<I/σ(I)>	20.5	2.4
Completeness [%]	99.7	99.9
Redundancy	21	22.5
CC(1/2)		0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297.15	50 mM BaCl2, 50 mM CaCl2, 100 mM Tris-HCl, pH 8.5, and 29-32% PEG 400, 6 mM a-NPG