5LKR

Human Butyrylcholinesterase complexed with N-Propargyliperidines

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-18
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	73.681, 79.463, 228.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.857 - 2.520
R-factor	0.1881
Rwork	0.185
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	48.860
High resolution limit [Å]	2.520
Rmerge	0.064
Number of reflections	45918
<I/σ(I)>	10
Completeness [%]	99.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.2M ammonium acetate, 18% PEG 4000, 20 mM Tris pH 7.4