7WC0

Crystal structure of Fab region of TAU-2212 neutralizing SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.980
Spacegroup name	P 65
Unit cell lengths	75.977, 75.977, 348.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.746 - 2.705
Rwork	0.202
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k8q
RMSD bond length	0.008
RMSD bond angle	0.969
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (721.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.750
High resolution limit [Å]	2.700	7.300	2.700
Rmerge	0.137	0.061	0.904
Rmeas	0.142	0.063	0.937
Rpim	0.037	0.015	0.243
Total number of observations	450999
Number of reflections	30854	1578	1532
<I/σ(I)>	7.7
Completeness [%]	100.0	99.9	100
Redundancy	14.6	16.5	14.1
CC(1/2)		0.999	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	309	26% (w/v) polyethylene glycol 3350, 0.2 M (NH4)2SO4, pH 8.0