4EY8

Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.990
Spacegroup name	H 3 2
Unit cell lengths	151.705, 151.705, 247.862
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.381 - 2.596
R-factor	0.1964
Rwork	0.194
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b41
RMSD bond length	0.008
RMSD bond angle	1.187
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.596	7.050	2.596
Rmerge	0.054	0.032	0.290
Number of reflections	33704
<I/σ(I)>	11.1
Completeness [%]	98.6	97.6	88.5
Redundancy	5	8.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	1.6 to 2.0M ammonium sulphate, 0.1M HEPES pH 7.5 - 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 283K