8ZAY

Crystal structure of Fab from mouse monoclonal antibody 4A9 against Aquifex aeolicus RseP PDZ tandem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	51.780, 70.440, 132.460
Unit cell angles	90.00, 96.69, 90.00

Refinement procedure

Resolution	49.910 - 2.300
R-factor	0.2202
Rwork	0.218
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.441
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.920	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	1.150
Rpim	0.060
Number of reflections	43326	6835
<I/σ(I)>	20.07
Completeness [%]	100.0
Redundancy	370.1
CC(1/2)	0.996	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05M Zinc acetate dihydrate, 20% w/v Polyethylene glycol 3350