9WJB

Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-Gly1-Gly2-Gly3-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	2023-07-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.141, 107.376, 81.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.780 - 2.100
R-factor	0.1944
Rwork	0.192
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.085
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	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.139	0.444
Number of reflections	27819	2569
<I/σ(I)>	9.85	3.67
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.993	0.926

Crystallization Conditions

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