6NB8

Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-05-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	37.823, 104.406, 108.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.680 - 1.500
R-factor	0.13055
Rwork	0.129
R-free	0.16714
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c5v
RMSD bond length	0.008
RMSD bond angle	1.463
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.302	37.823	1.580
High resolution limit [Å]	1.499	4.740	1.500
Rmerge		0.023	0.641
Rmeas	0.065	0.025	0.729
Rpim	0.026	0.010	0.337
Number of reflections	69810	2435	9872
<I/σ(I)>	16.2	26.4	1.1
Completeness [%]	99.6	99.7	97.7
Redundancy	6.1	6.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	3.5 M sodium formate