4EY7

Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 31 2 1
Unit cell lengths	105.147, 105.147, 322.977
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.242 - 2.351
R-factor	0.1767
Rwork	0.175
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB EMNTRY 4EY8
RMSD bond length	0.007
RMSD bond angle	1.083
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.084	0.022	0.626
Number of reflections	86541
<I/σ(I)>	8.6
Completeness [%]	99.2	96.6	98.4
Redundancy	3.1	3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	12 to 18% PEG 3350, 0.2M potassium nitrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K