9NCD

Crystal structure of the peanut allergen Ara h 9 with bound Fab IGX-3103 and antiFab nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	173
Detector technology	PIXEL
Collection date	2023-09-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920112
Spacegroup name	P 1 21 1
Unit cell lengths	62.387, 87.820, 66.558
Unit cell angles	90.00, 104.33, 90.00

Refinement procedure

Resolution	33.230 - 1.600
R-factor	0.1699
Rwork	0.169
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.808
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.230	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.069	0.893
Number of reflections	91525	9123
<I/σ(I)>	12.3	1.5
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.998	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	.2M NaThiocynate 20% PEG3350