6FSD

Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)

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	2015-11-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	78.013, 110.327, 227.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.578 - 2.700
R-factor	0.1915
Rwork	0.191
R-free	0.23420
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1j06
RMSD bond length	0.009
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.580	2.796
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.559
Rmeas	0.087	0.613
Number of reflections	51940	5210
<I/σ(I)>	18.22	4.02
Completeness [%]	95.0	97
Redundancy	5.6	5.6
CC(1/2)	0.998	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	PEG 750, Hepes