1Q83

Crystal structure of the mouse acetylcholinesterase-TZ2PA6 syn complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	79.743, 111.954, 226.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.650
R-factor	0.18308
Rwork	0.182
R-free	0.22000 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1j06
RMSD bond length	0.015
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *
High resolution limit [Å]	2.650
Rmerge	0.065 *	0.420 *
Total number of observations	513851 *
Number of reflections	59650
<I/σ(I)>	8.2
Completeness [%]	99.8	99.9 *
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	4 *	25-32% PEG 600, 20 mM Hepes, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG600	25-32 (%(v/v))
2	1	reservoir	HEPES	20-100 (mM)	pH6.0-7.5