9HVA

Crystal structure of Fab34 complexed with a 18-mer peptide of FMDV VP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	C 1 2 1
Unit cell lengths	302.540, 111.906, 140.575
Unit cell angles	90.00, 115.99, 90.00

Refinement procedure

Resolution	75.170 - 3.890
R-factor	0.2351
Rwork	0.233
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.567
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.200	3.960
High resolution limit [Å]	3.890	3.890
Rmerge	0.387
Rpim	0.154
Number of reflections	38889	1876
<I/σ(I)>	4.5	0.5
Completeness [%]	99.7	99.3
Redundancy	7.2
CC(1/2)	0.984	0.242

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES monohydrate pH 6.0, 14 % w/v PEG 4000