8AQF

CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515

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	2021-02-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00009
Spacegroup name	C 2 2 21
Unit cell lengths	91.625, 127.568, 60.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.810 - 1.550
Rwork	0.154
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pe6
RMSD bond length	0.017
RMSD bond angle	2.019
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.810	1.650
High resolution limit [Å]	1.550	1.550
Number of reflections	51415	8639
<I/σ(I)>	11.69
Completeness [%]	99.6
Redundancy	6.62
CC(1/2)	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MES pH 6.5, 6 to 13% PEG MME5K, 12% isopropanol