1VOT

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	273
Detector technology	IMAGE PLATE
Collection date	1993-10
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	112.632, 112.632, 136.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ACE
RMSD bond length	0.015
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.096 *	0.575 *
Total number of observations	334827 *
Number of reflections	44903
<I/σ(I)>	23.7	3
Completeness [%]	99.9	99.6
Redundancy	5.3	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8	4 *	pH 5.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG200	38 (%)
2	1	reservoir	MES	0.1 (M)
3	1	drop	protein	12 (mg/ml)