7TH3

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	2017-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	38.337, 67.113, 68.100
Unit cell angles	90.00, 91.06, 90.00

Refinement procedure

Resolution	47.797 - 2.292
R-factor	0.2489
Rwork	0.248
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtc 4lgr
RMSD bond length	0.004
RMSD bond angle	0.629
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	2.340
High resolution limit [Å]	2.292	6.240	2.300
Rmerge	0.040	0.023	0.177
Rmeas	0.048	0.027	0.212
Rpim	0.026	0.015	0.115
Number of reflections	15311	790	777
<I/σ(I)>	9.2
Completeness [%]	98.6	96.8	99.6
Redundancy	3.2	3.3	3.1
CC(1/2)		0.999	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	418 mM ammonium chloride, 22% PEG 3350