6RHD

Crystal structure of the amyloid-like TSYVGV 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	2015-12-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	P 1 21 1
Unit cell lengths	11.770, 9.360, 16.790
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	16.720 - 1.200
R-factor	0.1082
Rwork	0.106
R-free	0.12650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.545
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	16.720	16.720	1.250
High resolution limit [Å]	1.200	4.160	1.200
Rmerge	0.200	0.104	0.855
Rmeas	0.204	0.106	0.900
Total number of observations	31912
Number of reflections	1178	35	139
<I/σ(I)>	13.66	43.55	2.49
Completeness [%]	96.2	97.2	97.9
Redundancy	27.09	33.714	9.281
CC(1/2)	0.999	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 0.1 M Na Acet 4.6 pH, 30 %v/v MPD, 0.2 M NaCl