7L16

Crystal structure of sugar-bound melibiose permease MelB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-19
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97741
Spacegroup name	P 31 2 1
Unit cell lengths	127.372, 127.372, 103.905
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.350 - 3.150
R-factor	0.2754
Rwork	0.273
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MelB D59C with aNPG submitted
RMSD bond length	0.002
RMSD bond angle	0.520
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.350	3.370
High resolution limit [Å]	3.150	3.150
Rmerge	0.138	1.146
Rmeas	0.146	1.539
Rpim	0.046	0.477
Number of reflections	16973	3080
<I/σ(I)>	18.2	2.6
Completeness [%]	99.9	100
Redundancy	19.2
CC(1/2)	0.999	0.788

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, 29-32% PEG 400, 0.015% DDMB, 10% PEG3350