6J2J

Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-05-19
Detector	SDMS
Wavelength(s)	0.97853
Spacegroup name	C 2 2 21
Unit cell lengths	101.035, 102.714, 177.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.337 - 2.500
R-factor	0.1977
Rwork	0.194
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	31557
<I/σ(I)>	11.942
Completeness [%]	97.2
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium acetate trihydrate, 20% w/v polyethylene glycol 3,350