8FPA

Structure of a chimeric antibody (Fab) fragment bound to de-N-acetyl polysialic acid (dPSA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	74.585, 71.437, 91.495
Unit cell angles	90.00, 92.95, 90.00

Refinement procedure

Resolution	74.490 - 1.830
Rwork	0.186
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pe7
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER (1.19.2)
Refinement software	Servalcat (0.4.105)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.490	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.081
Number of reflections	84628	39278
<I/σ(I)>	9.1	0.8
Completeness [%]	99.9	99.9
Redundancy	6.8	6.8
CC(1/2)	0.999	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	24% polyethylene glycol 1,500; 20% glycerol