8EPV

2.2 A crystal structure of the lipocalin cat allergen Fel d 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	85.871, 85.871, 40.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 2.190
R-factor	0.2427
Rwork	0.241
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold
RMSD bond length	0.005
RMSD bond angle	0.722
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.190	2.190
Number of reflections	8074	379
<I/σ(I)>	22.4
Completeness [%]	99.5
Redundancy	7.4
CC(1/2)	0.996	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	35 % MPD, 100 mM cacodylate pH 6.5, and 0.05 M Zinc acetate