7MZS

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

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	CCD
Collection date	2016-07-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 4
Unit cell lengths	79.360, 79.360, 70.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.680 - 1.720
R-factor	0.1741
Rwork	0.173
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UcaD
RMSD bond length	0.009
RMSD bond angle	0.970
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.120	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.128	1.114
Rmeas	0.151	1.319
Rpim	0.077	0.687
Number of reflections	23071	1237
<I/σ(I)>	8.4	1.5
Completeness [%]	99.4
Redundancy	3.6
CC(1/2)	0.990	0.291

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