8FU4

HCMV US11 peptide binding to HLA-A*02:01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	59.874, 79.270, 110.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.640 - 1.600
R-factor	0.1817
Rwork	0.180
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (v1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.640	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	70264	33792
<I/σ(I)>	6.1	1.5
Completeness [%]	100.0
Redundancy	9.8
CC(1/2)	0.990	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	26% (w/v) PEG3350 and 0.1 M DL-malic acid pH 7.0, 83 mM cesium chloride