7E04

Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97921
Spacegroup name	P 65 2 2
Unit cell lengths	87.280, 87.280, 117.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.140 - 1.250
R-factor	0.1719
Rwork	0.172
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xks
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.750	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.110	0.925
Number of reflections	72862	5134
<I/σ(I)>	28.5
Completeness [%]	99.7
Redundancy	30.7
CC(1/2)	0.999	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 20% (w/v) PEG 8000