7KC9

Ricin bound to VHH antibody V5G1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.345, 77.438, 101.577
Unit cell angles	89.97, 90.18, 89.98

Refinement procedure

Resolution	19.653 - 2.301
R-factor	0.1894
Rwork	0.187
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aai
RMSD bond length	0.005
RMSD bond angle	0.864
Data reduction software	CrystalClear
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

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	0.068	0.027	0.311
Rmeas	0.096	0.039	0.440
Rpim	0.068	0.027	0.311
Total number of observations	112499
Number of reflections	57480	2851	2788
<I/σ(I)>	6.8
Completeness [%]	96.0	95.4	92.6
Redundancy	2	1.9	1.9
CC(1/2)		0.997	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	200 mM zinc acetate, 20% PEG 3,350