7B2W

Torpedo californica acetylcholinesterase complexed with UO2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1990-07-10
Detector	SIEMENS-XENTRONICS
Wavelength(s)	1.541
Spacegroup name	P 31 2 1
Unit cell lengths	110.880, 110.880, 134.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.090 - 2.650
R-factor	0.1656
Rwork	0.161
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ea5
RMSD bond length	0.012
RMSD bond angle	1.323
Data reduction software	DENZO (V1.0)
Data scaling software	SCALEPACK (V1.0)
Phasing software	MERLOT (V1.0)
Refinement software	PHENIX (1.19rc7_4070-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.092	2.770
High resolution limit [Å]	2.650	2.650
Number of reflections	23867	2116
<I/σ(I)>	13.6	1.44
Completeness [%]	84.2	57.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	The use of standard vapor diffusion techniques in hanging drop with 61 percent saturated ammonium sulfate, 360 nM Na,K-phosphate buffer pH 7.0, as the precipating agent and a protein concentration of ~11 mg/ml together with UO2(NO3)2.