7KBI

Ricin bound to VHH antibody V5E1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-01
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 63
Unit cell lengths	161.418, 161.418, 67.031
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.573 - 3.049
R-factor	0.2388
Rwork	0.237
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aa1
RMSD bond length	0.002
RMSD bond angle	0.543
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	3.100
High resolution limit [Å]	3.049	8.270	3.050
Rmerge	0.377	0.072	2.377
Rmeas	0.398	0.076	2.540
Rpim	0.126	0.024	0.880
Number of reflections	19234	1002	942
<I/σ(I)>	2.2
Completeness [%]	99.9	98.7	100
Redundancy	9.9	9.5	8.2
CC(1/2)		0.998	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	340 mM ammonium fluoride and 22% PEG 3,350.