5EHX

Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	112.270, 112.270, 136.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.610 - 2.100
R-factor	0.2
Rwork	0.198
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ae5
RMSD bond length	0.020
RMSD bond angle	1.963
Data reduction software	MOSFLM (7.0.7)
Data scaling software	SCALA (3.3.2.1)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.610	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.186	0.634
Rmeas	0.207	0.161
Rpim	0.088	0.069
Total number of observations	288894	10399
Number of reflections	58616	2024
<I/σ(I)>	5.3	9.9
Completeness [%]	99.9	100
Redundancy	4.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	MES 100 mM, pH 6.2 PEG 200 30%