3UUE

Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Collection date	2011-08-19
Spacegroup name	P 1 21 1
Unit cell lengths	39.807, 88.744, 45.132
Unit cell angles	90.00, 106.04, 90.00

Refinement procedure

Resolution	20.000 - 1.450
R-factor	0.16226
Rwork	0.161
R-free	0.18644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uuf
RMSD bond length	0.018
RMSD bond angle	1.875
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX (mr_rosseta)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	19.155	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge		0.031	0.317
Rmeas		0.034	0.388
Rpim		0.012	0.218
Total number of observations		12736	16302
Number of reflections	52050
<I/σ(I)>	16.1	52.4	3
Completeness [%]	97.6	98.4	84.1
Redundancy	4.5	7.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	277	10% PEG 1000, 10% PEG 8000, pH 8.0, VAPOR DIFFUSION, temperature 277K