6O9F

The structure of Thermomyces Lanuginosa lipase in complex with 1,3 diacylglycerol in a monoclinic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	CCD
Collection date	2016-05-15
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5419
Spacegroup name	P 1 21 1
Unit cell lengths	78.185, 91.366, 124.316
Unit cell angles	90.00, 94.70, 90.00

Refinement procedure

Resolution	51.270 - 2.480
R-factor	0.1768
Rwork	0.175
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.521
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.19rc7_4070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.520
High resolution limit [Å]	2.480	2.480
Rmerge	0.292	1.020
Rmeas	0.327	1.300
Rpim	0.102	0.623
Number of reflections	81074	4362
<I/σ(I)>	7.1	1.3
Completeness [%]	100.0	96.2
Redundancy	9.6	3.9
CC(1/2)	0.979	0.180

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Protein source was a filtered fungal culture medium at about 50 mg/ml. This was combined in 8 ul drops with equal amounts of 25% PEG 3350 buffered at pH 6.5 with 0.10 M MES and crystallized at room temperature by sitting drops in Cryschem plates