8H7N

Structure of nanobody 11A in complex with triazophos

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979176
Spacegroup name	P 31 2 1
Unit cell lengths	84.386, 84.386, 32.988
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.540 - 1.990
R-factor	0.213
Rwork	0.211
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h7i
RMSD bond length	0.002
RMSD bond angle	0.519
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.190	2.030
High resolution limit [Å]	1.990	1.990
Rmerge	0.112	0.948
Number of reflections	9567	663
<I/σ(I)>	10.3	2.3
Completeness [%]	100.0	99.8
Redundancy	8	7.6
CC(1/2)	0.998	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293.15	0.1 M citric acid, pH 3.5, 0.8 M ammonium sulfate