9OLR

Crystal structure of D59C MelB st bound with alpha-methyl galactoside (aMG)

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	2020-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979499
Spacegroup name	P 31 2 1
Unit cell lengths	127.496, 127.496, 106.039
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.910 - 3.680
R-factor	0.2969
Rwork	0.295
R-free	0.33070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.486
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	4.110
High resolution limit [Å]	3.680	3.680
Rmerge	0.137
Rmeas	0.145
Rpim	0.066
Number of reflections	11026	3102
<I/σ(I)>	8.4
Completeness [%]	99.8	99.6
Redundancy	9.2	8.8
CC(1/2)	0.998	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296.15	Tris-HCl, 100 mM, PH 8.5, NaCl, 100 mM, CaCl2, 50 mM, PEG400, 33%