5DTI

Crystal structure of mouse acetylcholinesterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	78.411, 113.135, 227.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.999 - 2.003
R-factor	0.1974
Rwork	0.197
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ha2
RMSD bond length	0.005
RMSD bond angle	0.981
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1685)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	126503
<I/σ(I)>	27.8
Completeness [%]	93.0
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	274	30% v/v PEG 600, 0.1 M sodium citrate