28ZB

Crystal Structure of HLA class II major histocompatibility complex bound to HCMV-IE1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2024-07-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	71.270, 96.180, 160.090
Unit cell angles	90.00, 92.66, 90.00

Refinement procedure

Resolution	35.300 - 2.426
R-factor	0.2256
Rwork	0.225
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
Data reduction software	XDS (20230630)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.090	2.450
High resolution limit [Å]	2.426	2.430
Rmeas	0.103	1.192
Number of reflections	81784	2745
<I/σ(I)>	14.98	1.5
Completeness [%]	99.8	99.2
Redundancy	7.01	6.83
CC(1/2)	0.990	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% w/v PEG 8000, 40 mM potassium dihydrogen phosphate, and 20% v/v glycerol