7TGI

Single-domain VHH intrabodies neutralize ricin toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	44.129, 84.407, 109.945
Unit cell angles	90.00, 97.06, 90.00

Refinement procedure

Resolution	42.203 - 2.104
R-factor	0.1784
Rwork	0.176
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtc 4lgr
RMSD bond length	0.008
RMSD bond angle	0.871
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.091	0.063	0.682
Rmeas	0.109	0.077	0.838
Rpim	0.059	0.042	0.480
Total number of observations	74897
Number of reflections	22929	1193	1087
<I/σ(I)>	6.5
Completeness [%]	98.7	98.6	97
Redundancy	3.3	3.2	2.8
CC(1/2)		0.993	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	200 mM magnesium chloride, 20% PEG 3350