4KE8

Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with monopalmitoyl glycerol analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	77.015, 81.125, 85.611
Unit cell angles	90.00, 100.26, 90.00

Refinement procedure

Resolution	43.737 - 1.850
R-factor	0.1809
Rwork	0.180
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.043
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.737	43.737	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.015	0.302
Number of reflections	88070
<I/σ(I)>	17.9	28.6	2.5
Completeness [%]	99.5	98.2	99.6
Redundancy	3.4	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.2	293	0.1 M citric acid pH 5.2 and 18% PEG 3350, VAPOR DIFFUSION, temperature 293K