7MZO

Crystal structure of the UcaD lectin-binding domain

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	2016-03-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 4
Unit cell lengths	77.390, 77.390, 70.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 1.620
R-factor	0.1699
Rwork	0.169
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UclD
RMSD bond length	0.009
RMSD bond angle	0.957
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]	54.720	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.110	1.443
Rmeas	0.119	1.559
Rpim	0.045	0.584
Number of reflections	26588	1305
<I/σ(I)>	11.6	1.4
Completeness [%]	99.9
Redundancy	7
CC(1/2)	0.999	0.634

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