8G1C

Crystal structure of polyreactive 3B03 human Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	52.420, 66.170, 90.238
Unit cell angles	104.09, 93.31, 91.60

Refinement procedure

Resolution	64.120 - 1.630
R-factor	0.2025
Rwork	0.202
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.120	1.690
High resolution limit [Å]	1.630	1.632
Number of reflections	132793	13000
<I/σ(I)>	27.55
Completeness [%]	88.5
Redundancy	6.8
CC(1/2)	0.643	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	25% PEG4000, 0.2M Ammonium sulfate, 0.1M Sodium acetate pH 4.6