9WJD

Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-Gly1-Gly2-Ile3-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	2022-07-14
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.931, 127.199, 77.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.980 - 1.700
R-factor	0.2016
Rwork	0.200
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.915
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	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.039	0.375
Number of reflections	52242	2094
<I/σ(I)>	25.7	3.14
Completeness [%]	97.5
Redundancy	5.3
CC(1/2)	1.000	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM MES buffer, pH6.5, 20% PEG smear high