6OBO

Ricin A chain bound to VHH antibody V6A6

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	2017-03-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	123.242, 112.929, 93.081
Unit cell angles	90.00, 127.49, 90.00

Refinement procedure

Resolution	48.894 - 1.900
R-factor	0.2089
Rwork	0.207
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.057
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.308	0.107	1.353
Rmeas	0.340	0.119	1.536
Rpim	0.142	0.051	0.712
Number of reflections	79441	4054	3899
<I/σ(I)>	3.2
Completeness [%]	99.9	99.9	99.4
Redundancy	5.5	5.4	3.9
CC(1/2)		0.991	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8		100 mM imidazole (pH 8.0), 200 mM calcium acetate, and 15% PEG 8,000