21GJ

Neoantigen p53Y220D-HLA-A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97881
Spacegroup name	P 1 21 1
Unit cell lengths	55.824, 79.705, 57.571
Unit cell angles	90.00, 116.31, 90.00

Refinement procedure

Resolution	48.136 - 1.830
R-factor	0.1654
Rwork	0.164
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.009
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	1.850
High resolution limit [Å]	1.830	1.830
Number of reflections	42236	4306
<I/σ(I)>	21.37
Completeness [%]	97.8
Redundancy	6.2
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M Bis Tris propane pH 7.5, 0.2 M sodium malonate pH 7.0, 20% (w/v) PEG 3350