8H7R

Structure of nanobody 11A in complex with coumaphos

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	84.166, 84.166, 32.301
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.530 - 2.000
R-factor	0.2261
Rwork	0.224
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h7i
RMSD bond length	0.002
RMSD bond angle	0.450
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]	42.080	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	0.799
Number of reflections	9112	664
<I/σ(I)>	12.4	3.9
Completeness [%]	99.8	99.1
Redundancy	8.1	7.9
CC(1/2)	0.998	0.931

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