6RHB

Crystal structure of the amyloid-like IATLYV segment from the Candida albicans Agglutinin-like protein (Adhesin) 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	P 21 21 21
Unit cell lengths	9.490, 17.870, 22.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.970 - 1.260
R-factor	0.1002
Rwork	0.100
R-free	0.10390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	beta strand
RMSD bond length	0.007
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.970	13.970	1.320
High resolution limit [Å]	1.260	4.180	1.260
Rmerge	0.246	0.109	0.757
Rmeas	0.258	0.115	0.795
Total number of observations	12416
Number of reflections	1076	41	90
<I/σ(I)>	6.8	15.22	2.89
Completeness [%]	91.1	97.6	58.8
Redundancy	11.539	9.829	10.933
CC(1/2)	0.995	0.997	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 0.1M tri-Sodium citrate pH 5.6, 1.0M Ammonium phosphate