7KDU

Ricin bound to VHH antibody V5E4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	45.281, 76.494, 101.440
Unit cell angles	90.00, 90.92, 90.00

Refinement procedure

Resolution	30.536 - 2.809
R-factor	0.2396
Rwork	0.237
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aai 3ezj
RMSD bond length	0.004
RMSD bond angle	0.689
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	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.124	0.044	1.108
Rmeas	0.147	0.052	1.320
Rpim	0.077	0.028	0.712
Total number of observations	58988
Number of reflections	16859	865	822
<I/σ(I)>	5.5
Completeness [%]	99.8	97.7	100
Redundancy	3.5	3.4	3.3
CC(1/2)		0.994	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	290 mM zinc Aaetate and 17% PEG 3,350