8VGG

Crystal structure of an engineered conformationally rigid anti-Tryptase Fab variant E104.v1.6DS

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	115.494, 115.494, 136.039
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.420 - 2.710
R-factor	0.2117
Rwork	0.207
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.574
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]	36.420	2.807
High resolution limit [Å]	2.710	2.710
Number of reflections	15107	28711
<I/σ(I)>	15.92
Completeness [%]	99.8	100
Redundancy	19.6	19.7
CC(1/2)	0.997	0.799

Crystallization Conditions

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