7MZR

Crystal structure of the UcaD lectin-binding domain in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 4
Unit cell lengths	79.075, 79.075, 70.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.540 - 1.780
R-factor	0.1651
Rwork	0.162
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UcaD
RMSD bond length	0.008
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.740	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.064	0.667
Rmeas	0.066	0.694
Rpim	0.018	0.187
Number of reflections	34590	1653
<I/σ(I)>	18.3	2.5
Completeness [%]	99.8
Redundancy	13.8
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium citrate buffer pH 4.5-5.5, 2-3 M NaCl