6IEX

Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	FILM
Collection date	2017-10-12
Detector	SDMS
Wavelength(s)	0.97907
Spacegroup name	P 21 21 21
Unit cell lengths	52.482, 69.274, 120.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.832 - 2.314
R-factor	0.2133
Rwork	0.211
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	19343
<I/σ(I)>	20.3
Completeness [%]	99.9
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M sodium citrate tribasic dehydrate, pH 6.5 and 18% w-v polyethylene glycol 3350