1J07

Crystal structure of the mouse acetylcholinesterase-decidium complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	79.531, 112.314, 226.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.350
R-factor	0.199
Rwork	0.199
R-free	0.22600 *
RMSD bond length	0.011
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.350
Rmerge	0.045 *	0.247 *
Total number of observations	359483 *
Number of reflections	79355
<I/σ(I)>	9.6
Completeness [%]	93.5	58.2 *
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		4 *	PEG 600, HEPES OR SODIUM ACETATE, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-12 (mg/ml)
2	1	reservoir	PEG600	25-32 (%(v/v))
3	1	reservoir	HEPES	20-100 (mM)	pH6.5-8.0