7B8E

Torpedo californica acetylcholinesterase complexed with Ca+2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	155
Detector technology	CCD
Collection date	2000-02-10
Detector	ADSC QUANTUM 1
Wavelength(s)	.93
Spacegroup name	P 32 2 1
Unit cell lengths	139.074, 139.074, 71.319
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.960 - 2.230
R-factor	0.1813
Rwork	0.179
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ea5
RMSD bond length	0.008
RMSD bond angle	0.876
Data reduction software	DENZO (v1.0)
Data scaling software	SCALEPACK (v1.0)
Phasing software	MERLOT (v1.0)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.960	2.330
High resolution limit [Å]	2.230	2.250
Rmerge	0.061	0.347
Number of reflections	38704	3752
<I/σ(I)>	11.6
Completeness [%]	99.4
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	293	By mixing 2 uL of protein (10-13 mg/mL in 0.1 M NaCl/0.1 M 2-morpholinoethanesulfonic acid (MES)/0.02% sodium azide, pH 5.8) with 2 uL of precipitant solution (0.2 M calcium acetate/10-15% (v/v) polyethylene glycol (PEG) 5000 monomethyl ether, 0.1 M MES, pH 6.5), thus yielding crystals of the Ca+2/TcAChE complex.