8VEG

Crystal structure of an engineered conformationally rigid anti-Tryptase Fab variant E104.v1.4DS.S112F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979460
Spacegroup name	P 61 2 2
Unit cell lengths	116.342, 116.342, 136.046
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.240 - 2.000
R-factor	0.21
Rwork	0.208
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.919
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]	47.240	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	717900	71762
<I/σ(I)>	27.52	2.29
Completeness [%]	99.0	99.95
Redundancy	19.3	19.6
CC(1/2)	1.000	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.2 M Na citrate, 20% PEG 3350