6G4N

Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99
Spacegroup name	P 21 21 21
Unit cell lengths	91.807, 107.208, 150.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.291 - 2.900
R-factor	0.1894
Rwork	0.187
R-free	0.27060
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]	46.300	3.000
High resolution limit [Å]	2.900	2.900
Rpim	0.175	0.883
Number of reflections	33562
<I/σ(I)>	10.1
Completeness [%]	99.9
Redundancy	6.3
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	277	150 mM MES 36% PEG 200