4LHJ

Ricin A chain bound to camelid nanobody (VHH5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.08
Spacegroup name	P 21 21 2
Unit cell lengths	81.419, 103.782, 42.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.709 - 1.800
R-factor	0.1983
Rwork	0.196
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.631
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.064	0.038	0.440
Number of reflections	33433
<I/σ(I)>	7.8
Completeness [%]	98.7	92.9	99.6
Redundancy	3.9	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	293	100 mM NaAcetate, 200 mM NaCl, 40% PEG 300, pH 4.5, VAPOR DIFFUSION, temperature 293K