7TH2

Single-domain VHH intrabodies neutralize ricin toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	60.644, 63.812, 99.298
Unit cell angles	90.00, 107.12, 90.00

Refinement procedure

Resolution	47.449 - 1.838
R-factor	0.1507
Rwork	0.149
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtc 4lgr
RMSD bond length	0.008
RMSD bond angle	0.911
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.115	0.046	0.907
Rmeas	0.126	0.051	0.991
Rpim	0.051	0.020	0.392
Total number of observations	372877
Number of reflections	61630	3179	3023
<I/σ(I)>	8.5
Completeness [%]	98.0	97.3	96.8
Redundancy	6.1	6.1	6.1
CC(1/2)		0.998	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	100 mM MES pH 6.5, 200 mM sodium thiocyanate, 8% dioxane, 1740 mM ammonium sulfate