5FUM

Mus musculus acetylcholinesterase in complex with AL200

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	2014-05-23
Spacegroup name	P 21 21 21
Unit cell lengths	78.660, 110.757, 227.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.076 - 2.500
R-factor	0.1965
Rwork	0.196
R-free	0.22650
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.004
RMSD bond angle	0.892
Data scaling software	XDS
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.080	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.124	1.584
Number of reflections	69320
<I/σ(I)>	14.69	2.35
Completeness [%]	99.6	99.28
Redundancy	7.5	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7