7YTN

Crystal structure of SARS-CoV-2 Alpha RBD in complex with the D27LEY neutralizing antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	155.957, 155.957, 166.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.990 - 3.510
R-factor	0.2404
Rwork	0.237
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vyr
RMSD bond length	0.002
RMSD bond angle	0.472
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.990	3.630
High resolution limit [Å]	3.510	3.510
Rpim	0.164	0.127
Number of reflections	15579	15500
<I/σ(I)>	9.8
Completeness [%]	91.8
Redundancy	21.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	200 mM ammonium citrate tribasic (pH 7.0), 20% (v/v) polyethyleneglycol 3350