9GJV

Fab fragment of an antibody that recognises alpha-1 antitrypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	41.766, 58.618, 158.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.990 - 2.200
R-factor	0.2451
Rwork	0.244
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	XDS
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.82)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.620	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	1.802
Rmeas	0.119	1.913
Rpim	0.040	0.619
Total number of observations	163542	14488
Number of reflections	20062	1721
<I/σ(I)>	10.3	1.2
Completeness [%]	98.2
Redundancy	8.2	8.4
CC(1/2)	0.997	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES free acid, pH 7.5, 200 mM Magnesium chloride, 25 (%w/v) PEG 3350 Cryoprotectant: 10% ethylene glycol