7KBK

Ricin bound to VHH antibody V6E11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-11
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	58.664, 186.583, 234.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.672 - 2.091
R-factor	0.1739
Rwork	0.172
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aai
RMSD bond length	0.010
RMSD bond angle	0.943
Data reduction software	DENZO
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	2.130
High resolution limit [Å]	2.090	5.670	2.090
Rmerge	0.079	0.030	0.520
Rmeas	0.090	0.033	0.632
Rpim	0.040	0.014	0.350
Total number of observations	332599
Number of reflections	74803	3953	3255
<I/σ(I)>	7.9
Completeness [%]	97.5	96.3	86.2
Redundancy	4.4	5	2.8
CC(1/2)		0.999	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	200 mM sodium chloride 100 mM CHES pH 9.5, and 1.26 M ammonium sulfate.