8PTR

COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00002
Spacegroup name	C 2 2 21
Unit cell lengths	90.883, 126.500, 60.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.810 - 1.730
R-factor	0.1931
Rwork	0.192
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.810	1.830
High resolution limit [Å]	1.730	1.730
Rmerge	0.065	0.890
Number of reflections	36540	5559
<I/σ(I)>	10.23
Completeness [%]	99.8
Redundancy	6.58
CC(1/2)	0.999	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MES pH 6.5, 6 to 13% PEG MME 5K, 12% isopropanol