7LG2

Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope ALWEIQQVV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	I 4
Unit cell lengths	121.800, 121.800, 63.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.060 - 2.400
R-factor	0.1923
Rwork	0.190
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h7b
RMSD bond length	0.005
RMSD bond angle	1.321
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.060	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.098
Number of reflections	18407	918
<I/σ(I)>	9.4	1.4
Completeness [%]	100.0	100
Redundancy	5	4.8
CC(1/2)	0.993	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 0.2 M magnesium chloride