9YZH

Crystal structure of HLA*02:01 with the 11-mer TP53 mutant peptide GLAPPQHLFRV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 63 2 2
Unit cell lengths	161.580, 161.580, 328.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.880 - 3.250
R-factor	0.1936
Rwork	0.193
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.439
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	3.310
High resolution limit [Å]	3.250	3.250
Rmerge	0.194	1.092
Rpim	0.039	0.258
Number of reflections	40107	1898
<I/σ(I)>	13.3	2
Completeness [%]	98.6	95.6
Redundancy	19.8	13.9
CC(1/2)	0.996	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2M Potassium Acetate, 20% (w/v) PEG3350