7RBY

Crystal structure of Nanobody nb112 and SARS-CoV-2 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	32.702, 59.004, 216.879
Unit cell angles	90.00, 91.34, 90.00

Refinement procedure

Resolution	56.930 - 2.820
R-factor	0.2104
Rwork	0.201
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ldj
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.273	72.273	2.970
High resolution limit [Å]	2.820	8.920	2.820
Rmerge		0.076	0.314
Rmeas	0.182	0.090	0.383
Rpim	0.100	0.048	0.213
Total number of observations	47525	1989	6443
Number of reflections	16189	641	2201
<I/σ(I)>	5.6	7.8	3.2
Completeness [%]	80.3	93.4	74.9
Redundancy	2.9	3.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1M Mg(OAc)2, 0.1 M MOPS pH 7.5, 12% w/v PEG8000