9B7B

Crystal structure of humanized 44H10 Fab Version 22 in complex with HLA-DR (HLA-DRA*01:01/HLA-DRB1*04:01)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.953570
Spacegroup name	I 2 2 2
Unit cell lengths	169.586, 178.801, 178.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.560 - 3.080
R-factor	0.2017
Rwork	0.200
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.806
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	3.360
High resolution limit [Å]	3.080	3.080
Number of reflections	29589	1974
<I/σ(I)>	7.8
Completeness [%]	93.0
Redundancy	13.6
CC(1/2)	0.977	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (w/v) PEG 6000, 0.1 M citric acid, pH 4.0