9OLP

Crystal structure of a raffinose-bound D59C 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	2021-12-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	127.103, 127.103, 104.882
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.890 - 3.400
R-factor	0.3171
Rwork	0.316
R-free	0.32880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (1.21.1_5286)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.340	3.580
High resolution limit [Å]	3.310	3.310
Rmerge	0.279	2.845
Rmeas	0.293
Rpim	0.092
Number of reflections	14954	3035
<I/σ(I)>	10.3
Completeness [%]	99.9	100
Redundancy	19.4	19.4
CC(1/2)	0.990	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296.15	Tris-HCl, 100 mM, PH 8.5, BaCl2, 50 mM, CaCl2, 50 mM, PEG400, 32.5%