4KE7

Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-myristoyl glycerol analogue

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	2011-09-26
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	P 1 21 1
Unit cell lengths	43.750, 71.240, 72.900
Unit cell angles	90.00, 102.00, 90.00

Refinement procedure

Resolution	23.555 - 1.699
R-factor	0.1748
Rwork	0.173
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.307	23.747	1.780
High resolution limit [Å]	1.690	5.350	1.690
Rmerge		0.071	0.215
Number of reflections	47227
<I/σ(I)>	8.7	2.5	1.8
Completeness [%]	96.9	95.6	87.8
Redundancy	3	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	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 alcohols (0.2 M 1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1, 2-propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol), VAPOR DIFFUSION, temperature 293K