7KD2

Ricin bound to VHH antibody V11B2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	77.607, 99.559, 111.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.189 - 2.550
R-factor	0.2292
Rwork	0.227
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aai 3ezj
RMSD bond length	0.010
RMSD bond angle	1.081
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	2.590
High resolution limit [Å]	2.546	6.920	2.550
Rmerge	0.211	0.061	1.709
Rmeas	0.230	0.066	1.895
Rpim	0.091	0.026	0.807
Number of reflections	28832	1557	1425
<I/σ(I)>	3.7
Completeness [%]	99.7	97.6	99.6
Redundancy	6.2	6.4	5.4
CC(1/2)		0.998	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	200 mM Zinc Acetate, 100 mM MES pH 6.0, 10% PEG 8,000