4Z9K

Ricin A chain bound to camelid nanobody (VHH2)(F5)

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	2015-02-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	78.376, 107.085, 111.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.065 - 1.500
R-factor	0.1786
Rwork	0.178
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.682
Data reduction software	XDS
Data scaling software	Aimless (0.3.3)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	111.940	111.940	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.083	0.046	1.497
Rpim	0.035	0.021	0.624
Total number of observations	480384	3120	23799
Number of reflections	75050
<I/σ(I)>	12	38.8	1.4
Completeness [%]	99.6	99.8	99
Redundancy	6.4	5.9	6.6
CC(1/2)	0.998	0.996	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	100 mM Tris, 15% PEG 3000, 2 mM Zinc acetate, 10 mM sulfobetaine