8VGF

Crystal structure of an engineered conformationally rigid anti-Tryptase Fab variant E104.v1.5DS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979460
Spacegroup name	P 61 2 2
Unit cell lengths	115.519, 115.519, 136.422
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.440 - 2.140
R-factor	0.1817
Rwork	0.179
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3-4406_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.440	2.216
High resolution limit [Å]	2.140	2.140
Number of reflections	30237	43369
<I/σ(I)>	15.14
Completeness [%]	99.9	100
Redundancy	15.6
CC(1/2)	0.998	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.1 M sodium citrate, pH 4.5, 26% PEG4000