4A16

Structure of mouse Acetylcholinesterase complex with Huprine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	77
Detector technology	CCD
Collection date	2010-04-15
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	137.940, 171.930, 225.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 2.650
R-factor	0.15667
Rwork	0.155
R-free	0.20563
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1maa
RMSD bond length	0.023
RMSD bond angle	2.138
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.010	0.070
Number of reflections	155235
Completeness [%]	99.9	99.8
Redundancy	5.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9		0.1 M BICINE BUFFER PH 9, 1.6 M AMMONIUM SULFATE.