8TFL

Ricin in complex with Fab SylH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-01
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	49.420, 126.927, 102.027
Unit cell angles	90.00, 92.74, 90.00

Refinement procedure

Resolution	43.620 - 2.890
R-factor	0.2361
Rwork	0.233
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aai 4m7k 3fmg
RMSD bond length	0.002
RMSD bond angle	0.506
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	2.950
High resolution limit [Å]	2.890	7.860	2.890
Rmerge		0.038	3.967
Rmeas		0.040	4.562
Rpim		0.012	2.161
Number of reflections	27100	1444	1243
<I/σ(I)>	8
Completeness [%]	97.0	99.4	90
Redundancy	8	10.5	3.9
CC(1/2)	0.440	0.999	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.5 M ammonium fluoride and 20% PEG 3,350