5GSB

Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-01
Detector	BRUKER SMART 6000
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	50.225, 76.039, 122.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.666 - 1.801
R-factor	0.1944
Rwork	0.193
R-free	0.22160
RMSD bond length	0.008
RMSD bond angle	1.171
Data reduction software	CNS
Data scaling software	CNS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	274523
<I/σ(I)>	20.033
Completeness [%]	98.9
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.1M Sodium citrate tribasic dihydrate pH 5.5 , 16% w v Polyethylene glycol 8000