6OCA

Ricin A chain bound to VHH antibody V2G10

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	2016-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	193.962, 50.279, 111.671
Unit cell angles	90.00, 124.68, 90.00

Refinement procedure

Resolution	48.157 - 2.113
R-factor	0.2132
Rwork	0.213
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.622
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
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	2.150
High resolution limit [Å]	2.110	5.720	2.110
Rmerge	0.115	0.049	1.504
Rmeas	0.126	0.054	1.711
Rpim	0.051	0.022	0.791
Total number of observations	293951
Number of reflections	50806	2677	2247
<I/σ(I)>	4.7
Completeness [%]	99.2	99.2	88.4
Redundancy	5.8	5.6	4.3
CC(1/2)		0.999	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	295	100 mM MES (pH 5.0) and 20% PEG 6,000