4ZXF

Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-15
Detector	PSI PILATUS 6M
Wavelength(s)	0.97939
Spacegroup name	P 21 21 21
Unit cell lengths	76.760, 107.130, 165.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.476 - 2.500
R-factor	0.2041
Rwork	0.201
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zwn
RMSD bond length	0.004
RMSD bond angle	0.806
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	165.450	82.725	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.046	0.846
Rmeas	0.202
Rpim	0.093	0.024	0.455
Total number of observations	215498	6966	29110
Number of reflections	47793
<I/σ(I)>	6.5	18.3	1.8
Completeness [%]	99.7	99.2	99.6
Redundancy	4.5	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293.15	0.1 M Bicine/Trizma base pH 8.7, 10% w/v PEG 20 000, 20% v/v PEG MME 550 and 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulphate, Microseeding