8E8I

Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	103
Detector technology	CCD
Collection date	2021-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	50.645, 81.232, 110.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.610 - 1.490
R-factor	0.1811
Rwork	0.179
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p2s
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.610	1.510
High resolution limit [Å]	1.490	1.490
Rmerge	0.099	0.560
Number of reflections	72099	10526
<I/σ(I)>	13.5	2.9
Completeness [%]	96.5	83.93
Redundancy	8.2	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.8	298	0.2 M ammonium acetate, 15% PEG 1000, 0.1 M sodium citrate