6WVP

Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GF

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	104.688, 104.688, 323.798
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.709 - 2.308
R-factor	0.18
Rwork	0.178
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ey4
RMSD bond length	0.003
RMSD bond angle	0.790
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.350
High resolution limit [Å]	2.308	6.270	2.308
Rmerge	0.084	0.040	0.461
Rmeas	0.094	0.044	0.517
Rpim	0.040	0.020	0.231
Number of reflections	91347	4920	4245
<I/σ(I)>	13.6
Completeness [%]	99.6	99	93.7
Redundancy	5.3	5	4.9
CC(1/2)		0.998	0.928

Crystallization Conditions

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