6EZH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.939
Spacegroup name	P 21 21 21
Unit cell lengths	91.440, 106.740, 150.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.090 - 2.600
R-factor	0.22342
Rwork	0.222
R-free	0.27315
Starting model (for MR)	1ea5
RMSD bond length	0.009
RMSD bond angle	1.271
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.090	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	45936
<I/σ(I)>	8.43
Completeness [%]	99.7
Redundancy	4.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	36% PEG 200 150mM MES pH 5.6