6WVC

Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	105.142, 105.142, 323.698
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.415 - 2.599
R-factor	0.1575
Rwork	0.155
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ey4
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.17.1-3660)
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.599	7.050	2.599
Rmerge	0.117	0.048	0.594
Rmeas	0.126	0.052	0.641
Rpim	0.047	0.020	0.238
Number of reflections	65019	3534	3183
<I/σ(I)>	6.7
Completeness [%]	100.0	99.7	100
Redundancy	7.1	6.5	7.2
CC(1/2)		0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG 3350, KNO3