3UUF

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	2011-06-26
Spacegroup name	P 43
Unit cell lengths	77.507, 77.507, 59.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.950 - 2.600
R-factor	0.19169
Rwork	0.189
R-free	0.23841
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngm
RMSD bond length	0.014
RMSD bond angle	1.840
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]	18.952	18.952	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge		0.038	0.502
Rmeas		0.044	0.542
Rpim		0.023	0.203
Total number of observations		1227	11400
Number of reflections	11015
<I/σ(I)>	14.7	40.2	4
Completeness [%]	99.7	91.6	100
Redundancy	6.4	3.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	0.1M BIS-TRIS pH 6.5, 20% PEGMME 5000, vapor diffusion, temperature 277K