22EE

Structure of HLA-A2:01 with 9-mer peptide PGS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 4
Unit cell lengths	123.398, 123.398, 64.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.630 - 1.990
R-factor	0.1955
Rwork	0.193
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.630	2.100
High resolution limit [Å]	1.989	1.989
Rmerge		0.243
Rpim		0.082
Number of reflections	33431	33431
<I/σ(I)>	3.53
Completeness [%]	99.8	100
Redundancy	4.3
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.2 M Potassium Na tartrate tetrahydrate 20% w/v Polyethylene glycol 3350