2J3Q

Torpedo acetylcholinesterase complexed with fluorophore thioflavin T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2005-02-23
Detector	MULTIWIRE
Spacegroup name	P 32 2 1
Unit cell lengths	139.440, 139.440, 71.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.813 - 2.800
R-factor	0.199
Rwork	0.199
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u65
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.140	0.610
Number of reflections	242941
<I/σ(I)>	17.9	4.93
Completeness [%]	99.1	92.5
Redundancy	12.3	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1