7SR4

Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDLYC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	117.877, 117.877, 262.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.910 - 2.590
R-factor	0.2192
Rwork	0.218
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sqp
RMSD bond length	0.002
RMSD bond angle	0.538
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.590	2.590
Number of reflections	58080	5680
<I/σ(I)>	23.5
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.992	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	100 mM KCitrate, pH 6.5, 17.5% PEG 3350