7X9E

Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	130.356, 84.515, 87.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.880 - 2.600
R-factor	0.1974
Rwork	0.195
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bqb
RMSD bond length	0.008
RMSD bond angle	1.039
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.134	1.044
Number of reflections	30037	2953
<I/σ(I)>	18.8	2.2
Completeness [%]	99.6
Redundancy	5.5
CC(1/2)	0.997	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	0.1M sodium citrate pH 4.5, 20% PEG 4000