7MZP

Crystal structure of the UclD lectin-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	39.040, 58.120, 175.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.850 - 2.200
R-factor	0.2508
Rwork	0.248
R-free	0.30580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UclD
RMSD bond length	0.002
RMSD bond angle	0.553
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]	58.120	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.257	1.325
Rmeas	0.278	1.430
Rpim	0.105	0.532
Number of reflections	21160	1794
<I/σ(I)>	5.4	1.5
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.990	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-25% w/v PEG 3350, 0.1 M Bis-Tris propane pH 6.5, 0.2 M sodium iodide