6RHA

Crystal structure of the amyloid-like NTVTFN 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	2015-05-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	P 1 21 1
Unit cell lengths	4.870, 39.810, 20.260
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	19.910 - 1.600
R-factor	0.1998
Rwork	0.198
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	beta strand
RMSD bond length	0.014
RMSD bond angle	1.634
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]	19.910	19.910	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.270	0.145	1.005
Rmeas	0.280	0.151	1.084
Total number of observations	14151
Number of reflections	991	24	126
<I/σ(I)>	7.3	11.94	2.2
Completeness [%]	98.2	96	90
Redundancy	14.28	16.375	7.087
CC(1/2)	0.975	0.987	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Reservoir contained 0.1M HEPES 7.5 pH, 0.8 M NaH2PO4, and 0.8M KH2PO4