4ZWN

Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	77.196, 108.566, 167.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.270 - 2.491
R-factor	0.1901
Rwork	0.188
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.771
Data scaling software	Aimless (0.1.29)
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.270	45.270	2.570
High resolution limit [Å]	2.490	9.960	2.490
Rmerge	0.198	0.061	1.498
Rpim	0.070	0.022	0.536
Total number of observations	439569	6519	35355
Number of reflections	49134
<I/σ(I)>	10.5	30.8	1.7
Completeness [%]	98.4	94.6	91.6
Redundancy	8.9	8	8.5
CC(1/2)	0.991	0.996	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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