5FOQ

Acetylcholinesterase in complex with C7653

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	2009-06-26
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	79.020, 111.770, 227.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.978 - 2.300
R-factor	0.1922
Rwork	0.192
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j06
RMSD bond length	0.008
RMSD bond angle	1.069
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]	29.700	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.060	0.410
Number of reflections	89319
<I/σ(I)>	14.5	2.1
Completeness [%]	99.1	96.4
Redundancy	5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		PH 7.0