6OBE

Ricin A chain bound to VHH antibody V6H8

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	CCD
Collection date	2016-11-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	90.371, 90.371, 204.015
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.116 - 1.732
R-factor	0.1725
Rwork	0.171
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.264
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmerge	0.169	0.050	2.538
Rmeas	0.173	0.051	2.639
Rpim	0.038	0.012	0.718
Total number of observations	1053545
Number of reflections	52131	2929	2537
<I/σ(I)>	6.2
Completeness [%]	100.0	99.8	100
Redundancy	20.2	19.2	13.1
CC(1/2)		0.999	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	100 mM citric acid and 15% PEG