9WJC

Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-Gly1-Gly2-Glu3-Ile4 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	2023-07-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.000, 81.769, 107.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.880 - 2.000
R-factor	0.1937
Rwork	0.192
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (2.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.115	0.509
Number of reflections	32242	2457
<I/σ(I)>	12.8	4.1
Completeness [%]	99.7
Redundancy	7.5
CC(1/2)	0.997	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	100mM MES buffer, pH6.5, 20% PEG smear high