4LHQ

Ricin A chain bound to camelid nanobody (VHH8)

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 41
Unit cell lengths	49.048, 49.048, 339.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.544 - 2.300
R-factor	0.1929
Rwork	0.192
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.879
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	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.076	0.049	0.380
Number of reflections	34433
<I/σ(I)>	9.6
Completeness [%]	97.0	94.9	78.9
Redundancy	4.9	6.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293	100 mM NaAcetate, 2 M NaFormate, pH 4.6, VAPOR DIFFUSION, temperature 293K