1FF4

X-RAY STRUCTURE OF MUSCARINIC TOXIN 2 AT 1.5 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-02-28
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	63.000, 63.000, 37.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.500
R-factor	0.21
Rwork	0.205
R-free	0.24400
RMSD bond length	0.015
RMSD bond angle	2.595
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.488
Number of reflections	108000
<I/σ(I)>	30
Completeness [%]	92.5	93.5
Redundancy	8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	293	Ammonium Sulfate, Tampon sodium acetate, pH 4.5, VAPOR DIFFUSION, temperature 20K