4A23

Mus musculus Acetylcholinesterase in complex with racemic C5685

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	78.923, 111.828, 226.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.809 - 2.400
R-factor	0.175
Rwork	0.174
R-free	0.20890
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1j06
RMSD bond length	0.008
RMSD bond angle	1.135
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]	19.640	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.053	0.036
Number of reflections	79324
<I/σ(I)>	25.8	7.5
Completeness [%]	99.6	99.8
Redundancy	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7