5DTJ

Crystal Structure of dfp-inhibited mouse acetylcholinesterase in complex with the reactivator SP-134

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	2014-03-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	79.487, 113.367, 227.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.202 - 2.710
R-factor	0.1801
Rwork	0.179
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ha2
RMSD bond length	0.009
RMSD bond angle	1.272
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]	2.700
Number of reflections	56474
<I/σ(I)>	16.2
Completeness [%]	100.0
Redundancy	5.5

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