6OCD

Ricin A chain bound to VHH antibody V6D4

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 1 21 1
Unit cell lengths	57.937, 78.605, 103.890
Unit cell angles	90.00, 96.46, 90.00

Refinement procedure

Resolution	46.445 - 2.103
R-factor	0.1907
Rwork	0.189
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.671
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
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	0.124	0.044	1.049
Rmeas	0.145	0.052	1.248
Rpim	0.076	0.027	0.669
Total number of observations	193078
Number of reflections	53563	2762	2622
<I/σ(I)>	5.7
Completeness [%]	99.7	99.7	97.7
Redundancy	3.6	3.6	3.2
CC(1/2)		0.997	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	295	100 mM MES (pH 6.0), 400 mM zinc acetate, and 11% PEG 8,000