9XME

Complex of HLA-A2, a class I MHC, with a wild type UTP20 peptide

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	2025-01-04
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	58.313, 83.912, 83.930
Unit cell angles	90.00, 90.12, 90.00

Refinement procedure

Resolution	41.960 - 2.040
R-factor	0.1964
Rwork	0.194
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.960	2.113
High resolution limit [Å]	2.040	2.040
Rmerge	0.085
Number of reflections	50526	4910
<I/σ(I)>	13.81
Completeness [%]	98.0
Redundancy	5.2
CC(1/2)	0.997	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	PEG 3000, sodium chloride, hydroxyethyl