8PTC

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

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	2019-09-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999983
Spacegroup name	C 2 2 21
Unit cell lengths	90.223, 126.777, 62.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 1.510
R-factor	0.2023
Rwork	0.202
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
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]	47.670	1.610
High resolution limit [Å]	1.510	1.510
Rmerge	0.066	0.980
Number of reflections	56605	9773
<I/σ(I)>	10.13
Completeness [%]	99.8
Redundancy	6.71
CC(1/2)	0.999	0.776

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