5XKS

Crystal structure of monoacylglycerol lipase from thermophilic Geobacillus sp. 12AMOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	P 1 21 1
Unit cell lengths	43.091, 136.207, 126.525
Unit cell angles	90.00, 92.06, 90.00

Refinement procedure

Resolution	43.063 - 2.189
R-factor	0.1988
Rwork	0.196
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lhe
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (phenix.refine: 1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.063	43.063	2.320
High resolution limit [Å]	2.189	6.510	2.190
Rmerge	0.141	0.048	0.626
Rmeas	0.152	0.053	0.678
Number of reflections	74128	2916	11223
<I/σ(I)>	11.48	32.59	3.02
Completeness [%]	98.8	99.8	92.9
Redundancy	6.843	6.597	6.71
CC(1/2)	0.996	0.998	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M Ammonium sulfate, 0.1M MES monohydrate pH 6.5, 30%(w/v) Polyethylene glycol monomethyl ether 5,000