6OBM

Ricin A chain bound to VHH antibody V6A7

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	2016-11-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	102.654, 102.654, 156.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.595 - 2.495
R-factor	0.2113
Rwork	0.209
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.732
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	2.540
High resolution limit [Å]	2.495	6.780	2.500
Rmerge	0.104	0.033	1.545
Rmeas	0.108	0.034	1.659
Rpim	0.029	0.009	0.577
Number of reflections	14935	842	711
<I/σ(I)>	7.3
Completeness [%]	99.7	99.9	94.8
Redundancy	13.4	12.9	7
CC(1/2)		0.999	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	200 mM potassium sulfate and 20% PEG 3,350