6ZH9

Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)

This is a non-PDB format compatible entry.

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	2020-06-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 42 21 2
Unit cell lengths	156.411, 156.411, 116.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.243 - 3.310
Rwork	0.261
R-free	0.30520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zby
RMSD bond length	0.008
RMSD bond angle	1.626
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.253	3.400
High resolution limit [Å]	3.310	3.310
Rmerge	0.091	3.900
Rpim		0.770
Number of reflections	22105	1538
<I/σ(I)>	0.018	0.5
Completeness [%]	100.0
Redundancy	25.6
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	mixing 0.2 uL of the 18 mg/mL complex with 0.1 uL of the crystallization buffer containing 0.2 M Sodium acetate trihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 8000.