8FQ9

Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter

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	2018-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 31 2 1
Unit cell lengths	127.225, 127.225, 104.042
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.560 - 3.000
R-factor	0.2655
Rwork	0.263
R-free	0.28830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_3936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.400
High resolution limit [Å]	3.000	3.180
Rmerge	0.119	1.705
Rmeas	0.125	1.791
Rpim	0.048	0.398
Number of reflections	19790	2982
<I/σ(I)>	16.8	2.2
Completeness [%]	99.8	100
Redundancy	13.3	20.1
CC(1/2)	1.000	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296.15	MES, 100 mM, PH 6.5 NaCl, 100 mM CaCl, 50 mM PEG400, 32%