3RLI

Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-31
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	P 1 21 1
Unit cell lengths	38.050, 70.690, 43.440
Unit cell angles	90.00, 111.65, 90.00

Refinement procedure

Resolution	17.683 - 1.854
R-factor	0.1579
Rwork	0.156
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rm3
RMSD bond length	0.013
RMSD bond angle	1.051
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.376	1.940
High resolution limit [Å]	1.854	1.854
Number of reflections	17878
Completeness [%]	96.2	96.2
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES/imidazole pH 6.5, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, and 0.02 M of monosaccharides (D-glucose, D-mannose, D-galactose, L-fuctose, D-xylose, and N-acetyl-D-glucosamine), VAPOR DIFFUSION, SITTING DROP, temperature 293.0K