7PRM

CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13

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	2021-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999883
Spacegroup name	C 2 2 21
Unit cell lengths	89.967, 127.448, 63.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.500 - 1.650
R-factor	0.2079
Rwork	0.206
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house MAGL structure
RMSD bond length	0.008
RMSD bond angle	0.930
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]	73.500	1.750
High resolution limit [Å]	1.650	1.650
Number of reflections	43782	6954
<I/σ(I)>	8.47	0.62
Completeness [%]	99.6	99.3
Redundancy	6.77	6.88
CC(1/2)	0.990	0.325

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES 6.5 pH 6 %w/v PEG MME 5000 12 %v/v iso-propanol