1F8U

CRYSTAL STRUCTURE OF MUTANT E202Q OF HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH GREEN MAMBA VENOM PEPTIDE FASCICULIN-II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	151.110, 151.110, 247.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 * - 2.900
R-factor	0.17 *
Rwork	0.191
R-free	0.23000 *
RMSD bond length	0.010 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.700 *	2.700 *
Rmerge	0.090 *	0.240 *
Total number of observations	270951 *
Number of reflections	25075 *
Completeness [%]	83.4 *	20.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13-15 (mg/ml)
2	1	drop	HEPES	1 (mM)
3	1	drop		10 (mM)
4	1	drop		0.02 (%)
5	1	reservoir	ammonium sulfate	1.4-1.8 (M)