1W6R

Complex of TcAChE with galanthamine derivative

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
Collection date	2000-05-11
Detector	ADSC CCD
Spacegroup name	P 31 2 1
Unit cell lengths	111.751, 111.751, 137.173
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.320 - 2.050
R-factor	0.199
Rwork	0.199
R-free	0.23200
Structure solution method	OTHER
RMSD bond length	0.021
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.050	0.300
Number of reflections	61443
<I/σ(I)>	12.2	2
Completeness [%]	97.8	96.5
Redundancy	2.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.8	277	35-40% W/V PEG 200, 0.1M MES PH 5.8, 4DEG. C