6EZG

Torpedo californica AChE in complex with indolic multi-target directed ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03
Spacegroup name	P 21 21 21
Unit cell lengths	91.711, 106.996, 150.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.420 - 2.200
R-factor	0.1922
Rwork	0.190
R-free	0.23710
RMSD bond length	0.007
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.420	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	73468
<I/σ(I)>	10.8
Completeness [%]	97.0
Redundancy	4.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	277	36% PEG 200 150mM MES pH 5.8