6U34

Binary complex of native hAChE with oxime reactivator RS194B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-05
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9795
Spacegroup name	P 31
Unit cell lengths	124.974, 124.974, 129.844
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.400
R-factor	0.207
Rwork	0.206
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o5v
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.034	0.522
Rmeas	0.048	0.735
Rpim	0.033	0.518
Number of reflections	82527	8234
<I/σ(I)>	11.3	1.5
Completeness [%]	94.1	94.1
Redundancy	1.8	1.7
CC(1/2)	0.982	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	283	10-20 mM sodium citrate, 100 mM HEPES, pH 7, 8-8.5 % PEG6000 and 100 mM potassium nitrate