9LF5

Complex structure of THC-4677 and THC-4881 Fab bound to SARS-CoV-2 WT RBD

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	2024-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	110.846, 259.834, 104.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.960 - 2.950
R-factor	0.2442
Rwork	0.244
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.554
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	129.920	3.110
High resolution limit [Å]	2.950	2.950
Number of reflections	121975	9338
<I/σ(I)>	3.7
Completeness [%]	100.0
Redundancy	5.6
CC(1/2)	0.963	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.5	0.1 M Na HEPES pH 7.5, 10 % v/v 2-propanol, 20% w/v PEG 4K