7WT5

Crystal structure of HLA-A*2450 complexed with 8-mer model peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-24
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	86.239, 46.460, 141.650
Unit cell angles	90.00, 104.01, 90.00

Refinement procedure

Resolution	45.812 - 2.095
R-factor	0.18851052864
Rwork	0.186
R-free	0.22809
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7t
RMSD bond length	0.009
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.095	2.100
Rmerge	0.086	0.463
Number of reflections	64492	10293
<I/σ(I)>	12.58
Completeness [%]	99.5
Redundancy	3.8
CC(1/2)	0.997	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	100mM Tris, 20 % PEG 8000