1FSS

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Detector technology	IMAGE PLATE
Collection date	1994-11-15
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	87.390, 115.000, 67.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.000
R-factor	0.23
Rwork	0.230
R-free	0.31000
RMSD bond length	0.008
RMSD bond angle	24.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	3.000 *	3.000 *
Rmerge	0.105	0.303 *
Total number of observations	48744 *
Number of reflections	14206
Completeness [%]	97.7	93.7 *
Redundancy	3.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.2 *	4 *	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	FAS-II	2.3 (mg/ml)
3	1	reservoir	PEG200	20-25 (%)
4	1	reservoir	sodium acetate	0.1 (M)
5	1	reservoir	zinc acetate	0.001 (M)