1W76

Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2001-03-19
Detector	RIGAKU IMAGEPLATE
Spacegroup name	P 21 21 21
Unit cell lengths	91.223, 105.253, 150.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.170 - 2.300
R-factor	0.236
Rwork	0.236
R-free	0.28300
Structure solution method	OTHER
RMSD bond length	0.016
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.500
Number of reflections	63928
<I/σ(I)>	11.5	2.7
Completeness [%]	98.4	98.9
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			277	35-40% W/V PEG 200, 0.1M MES PH5.8 4 DEG. CELSIUS