6H19

Crystal structure of ethyl-paraoxon inhibited recombinant human bile salt activated lipase (aged form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-14
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	56.120, 97.810, 110.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.700 - 1.890
Rwork	0.193
R-free	0.22960
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.958
High resolution limit [Å]	1.890	1.890
Rmerge	0.120
Rmeas	0.139
Number of reflections	49065	4813
<I/σ(I)>	8.21	1.37
Completeness [%]	99.3	98.75
Redundancy	3.8	3.8
CC(1/2)	0.995	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 8000, cacodylate, zinc acetate