7WT3

Crystal structure of HLA-A*2402 complexed with 4-mer lipopeptide

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	2019-12-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	87.069, 46.410, 142.670
Unit cell angles	90.00, 104.87, 90.00

Refinement procedure

Resolution	42.076 - 1.888
R-factor	0.201054993769
Rwork	0.199
R-free	0.23506
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7t
RMSD bond length	0.008
RMSD bond angle	1.243
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	2.000
High resolution limit [Å]	1.888	1.890
Rmerge	0.057	0.448
Number of reflections	89133	14275
<I/σ(I)>	14.42
Completeness [%]	99.6
Redundancy	3.7
CC(1/2)	0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	2mM ZnCL2, 100mM Tris, 20% PEG 6000