5OD9

Structure of the engineered metalloesterase MID1sc9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000030
Spacegroup name	P 21 21 2
Unit cell lengths	43.820, 104.959, 33.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.000 - 1.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.480	1.200
High resolution limit [Å]	1.130	1.130
Rmerge	0.096	1.500
Number of reflections	58851
<I/σ(I)>	13.58	0.82
Completeness [%]	99.1	94.8
Redundancy	11.8
CC(1/2)	0.999	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.92	293	100 mM BIS-TRIS-propane pH 7.92, 30% (w/v) polyethylene glycol 4000, 431 mM MgCl2.