8TFH

Ricin in complex with Fab JB4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-01
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	I 41 2 2
Unit cell lengths	139.358, 139.358, 444.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.840 - 3.290
R-factor	0.2768
Rwork	0.274
R-free	0.33400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.815
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.290	8.940	3.300
Rmerge		0.100	1.838
Rmeas		0.105	1.995
Rpim		0.031	0.755
Number of reflections	32952	1834	1590
<I/σ(I)>	1.9
Completeness [%]	97.4	98	96.8
Redundancy	7.5	11.2	6
CC(1/2)	0.440	0.997	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	1.5 M ammonium sulfate and 25% glycerol