3I6K

Newly identified epitope from SARS-CoV membrane protein complexed with HLA-A*0201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-14
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	65.540, 108.028, 134.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.209 - 2.800
R-factor	0.1999
Rwork	0.198
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jf1
RMSD bond length	0.003
RMSD bond angle	0.656
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.209	50.000	2.850
High resolution limit [Å]	2.750	5.920	2.750
Rmerge	0.170	0.083	0.475
Rmeas	0.170
Total number of observations	173044
Number of reflections	25460
<I/σ(I)>	15.836		4.821
Completeness [%]	99.5	98.9	98.8
Redundancy	6.8	6.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1M BIS-TRIS pH 5.5, 10% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K