6WVQ

Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GP

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	105.060, 105.060, 323.331
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.366 - 2.289
R-factor	0.166
Rwork	0.164
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ey4
RMSD bond length	0.008
RMSD bond angle	0.982
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	2.330
High resolution limit [Å]	2.289	6.210	2.289
Rmerge	0.088	0.045	0.568
Rmeas	0.095	0.049	0.628
Rpim	0.036	0.018	0.262
Number of reflections	94322	5077	4629
<I/σ(I)>	8.1
Completeness [%]	100.0	99.4	99.9
Redundancy	7.2	6.7	5.4
CC(1/2)		0.998	0.948

Crystallization Conditions

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