7DRU

Crystal Structure of the Dog Lipocalin Allergen Can f 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	68.026, 128.748, 68.605
Unit cell angles	90.00, 97.73, 90.00

Refinement procedure

Resolution	47.780 - 2.500
R-factor	0.2456
Rwork	0.243
R-free	0.28570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eyc
RMSD bond length	0.007
RMSD bond angle	0.895
Data scaling software	XDS (2017-10-10)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.650
High resolution limit [Å]	2.500	2.500
Number of reflections	40304	6485
<I/σ(I)>	16	2.4
Completeness [%]	99.2	99
Redundancy	3.5	3.6
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M imidazole (pH 6.5), 30% PEG3350, 6% isopropanol, 0.1 M CaCl2