8VGE

Crystal structure of an engineered conformationally rigid anti-Tryptase Fab variant E104.v1.4DS.A114F

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	115.099, 115.099, 137.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.870 - 2.010
R-factor	0.2104
Rwork	0.209
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.589
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]	46.870	2.082
High resolution limit [Å]	2.010	2.010
Number of reflections	36470	69671
<I/σ(I)>	26.57
Completeness [%]	98.6
Redundancy	18.8
CC(1/2)	1.000	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.1 M sodium citrate, pH 4.5, 20% PEG4000