8IRW

Structure of nanobody Nb9 against parathion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	41.662, 50.397, 56.123
Unit cell angles	90.00, 96.39, 90.00

Refinement procedure

Resolution	37.390 - 1.550
R-factor	0.1945
Rwork	0.193
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.390	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.066	0.637
Number of reflections	33692	1651
<I/σ(I)>	19.4	2.9
Completeness [%]	99.9	100
Redundancy	6.6	6
CC(1/2)	0.999	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293.15	7M sodium nitrate