6EUE

Rivastigmine analogue bound to Tc ACHE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	112.000, 112.000, 137.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.600 - 2.000
R-factor	0.197
Rwork	0.196
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.971
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.600	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.660
Number of reflections	67469
<I/σ(I)>	13.52	1.89
Completeness [%]	99.7	99.4
Redundancy	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	295	MES 100 mM pH 5.5 PEG 200 32%