6G4M

Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	91.276, 106.240, 150.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.910 - 2.630
R-factor	0.1949
Rwork	0.191
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ea5
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.911	2.724
High resolution limit [Å]	2.630	2.724
Rmeas	0.194
Number of reflections	43964
<I/σ(I)>	9.22	1.88
Completeness [%]	99.9	99.4
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	150mM MES 36% PEG 200