4B80

Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-fluoro-phenyl)-methanesulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	78.867, 111.543, 227.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.952 - 2.500
R-factor	0.1872
Rwork	0.186
R-free	0.22290
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1j06
RMSD bond length	0.008
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.010	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.660
Number of reflections	70343
<I/σ(I)>	14.6	2.7
Completeness [%]	99.9	100
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1