9HFJ

Crystal structure of the NTE domain of SusCdex (BT3090) dextran transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.89844
Spacegroup name	H 3
Unit cell lengths	62.084, 62.084, 53.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.990 - 1.400
Rwork	0.175
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.195
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.990	23.990	1.420
High resolution limit [Å]	1.400	7.540	1.400
Rmerge	0.046	0.024	0.632
Rmeas	0.051	0.027	0.782
Rpim	0.022	0.011	0.451
Number of reflections	15041	97	768
<I/σ(I)>	21.4	91.3	1.8
Completeness [%]	99.7	97.6	96.7
Redundancy	9.8	11.1	5.2
CC(1/2)	1.000	0.999	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2,000