9GGP

Alpha-1-antitrypsin in complex with the Fab fragment of an anti-polymer antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-20
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 2
Unit cell lengths	140.946, 75.554, 87.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.900 - 1.840
R-factor	0.1737
Rwork	0.173
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.360	1.900
High resolution limit [Å]	1.840	1.840
Rmerge	0.177	2.869
Rmeas	0.184	2.981
Rpim	0.051	0.805
Total number of observations	1060725	106307
Number of reflections	81380	7899
<I/σ(I)>	10.3	1.1
Completeness [%]	99.9
Redundancy	13	13.5
CC(1/2)	0.998	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	0.2 M Ammonium citrate dibasic 20% w/v Polyethylene glycol 3,350 pH 5.1