2GYU

Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-10-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9694
Spacegroup name	P 21 21 21
Unit cell lengths	78.160, 110.720, 226.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.950 - 2.200
R-factor	0.198
Rwork	0.197
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j06
RMSD bond length	0.011
RMSD bond angle	1.464
Data scaling software	XDS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.950	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.519
Number of reflections	100429
<I/σ(I)>	19.6	4.7
Completeness [%]	100.0	100
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	278	26-30 % PEG750MME, 0.1 M HEPES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 278K