7LGD

HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	64.454, 107.176, 174.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.550 - 2.880
R-factor	0.2091
Rwork	0.206
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wmn
RMSD bond length	0.009
RMSD bond angle	1.038
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.650	46.650	3.040
High resolution limit [Å]	2.880	9.110	2.880
Rmerge	0.195	0.066	1.262
Total number of observations	191654	6180	26453
Number of reflections	28141	1005	4027
<I/σ(I)>	8	18.3	1.6
Completeness [%]	100.0	99.4	100
Redundancy	6.8	6.1	6.6
CC(1/2)	0.898	0.994	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	2M Ammonium Sulfate, 0.1M HEPES pH 7.5