9I3Y

CRYSTAL STRUCTURE OF HUMAN MONOACYLGLYCEROL LIPASE WITH COMPOUND 17

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.885603
Spacegroup name	C 2 2 21
Unit cell lengths	89.864, 126.920, 62.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.620 - 1.450
R-factor	0.1776
Rwork	0.176
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.756
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.460	1.550
High resolution limit [Å]	1.450	1.450
Rmerge	0.060	0.980
Number of reflections	63798	11432
<I/σ(I)>	8.4
Completeness [%]	99.9
Redundancy	6.61
CC(1/2)	0.999	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6.5, 11% PEG MME5K, 12% isopropanol