8EUQ

Crystal structure of HLA-DRA*01:01/HLA-DRB1*04:01 in complex with c44H10 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	I 2 2 2
Unit cell lengths	169.150, 178.720, 182.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.510 - 3.090
R-factor	0.2018
Rwork	0.200
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dlh 1aj7
RMSD bond length	0.004
RMSD bond angle	0.719
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]	40.000	3.140
High resolution limit [Å]	3.090	3.090
Rmerge	0.159	0.878
Rpim	0.041	0.226
Number of reflections	50733	2369
<I/σ(I)>	14.8	1.5
Completeness [%]	99.9	99.9
Redundancy	16.1	16.1
CC(1/2)	0.990	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.7 M ammonium sulfate, 15% glycerol, 0.085 M HEPES, 1.7% PEG400, with crystal seeds previously grown in 2 M ammonium sulfate, 0.1 M bis-tris pH 5.5