4LGR

Ricin A chain bound to camelid nanobody (VHH3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	61.345, 77.423, 121.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.220 - 1.650
R-factor	0.1808
Rwork	0.179
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.979
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.088	0.045	0.516
Number of reflections	66357
<I/σ(I)>	10.5
Completeness [%]	94.1	97.2	63.6
Redundancy	6.3	6.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	293	100 mM NaAcetate, 200 mM Zinc Acetate, 10% PEG 3000, pH 4.5, VAPOR DIFFUSION, temperature 293K