6YZ5

H11-D4 complex with SARS-CoV-2 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97623
Spacegroup name	P 31 2 1
Unit cell lengths	78.280, 78.280, 127.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.410 - 1.800
R-factor	0.1672
Rwork	0.166
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yla
RMSD bond length	0.010
RMSD bond angle	1.441
Data reduction software	XDS
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.410	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.109	0.540
Number of reflections	40120	3066
<I/σ(I)>	20.6	1.9
Completeness [%]	99.0	99
Redundancy	19.7
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	the crystallization buffer containing 0.2 M Sodium acetate trihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 8000. The crystals grew overnight and were flash cooled in a solution containing the mother liquor with 30 % (v/v) ethylene glycol.