6Q3S

Engineered Human HLA_A2 MHC Class I molecule in complex with TCR and SV9 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	75.445, 53.669, 121.741
Unit cell angles	90.00, 98.02, 90.00

Refinement procedure

Resolution	29.936 - 2.500
R-factor	0.2311
Rwork	0.229
R-free	0.27330
RMSD bond length	0.002
RMSD bond angle	0.471
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	33552
<I/σ(I)>	9.6
Completeness [%]	99.3
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M ammonium acetate; 0.1 M bis-tris pH 5.5, 17 %(w/v) PEG 10.000