6O8V

The structure of lipase from Thermomyces Lanuginosa in complex with 1,3 diacylglycerol: Rhombohedral crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	173
Detector technology	PIXEL
Collection date	2018-02-15
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.03
Spacegroup name	H 3 2
Unit cell lengths	76.373, 76.373, 241.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.520 - 1.300
R-factor	0.111
Rwork	0.109
R-free	0.14130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tib
RMSD bond length	0.010
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19rc7_4070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.049	0.360
Rmeas	0.050	0.461
Rpim	0.010	0.205
Number of reflections	58358	463
<I/σ(I)>	42.7	2.6
Completeness [%]	88.0	14.4
Redundancy	31	4.2
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	From a filtered, crude nutrient broth containing 30 - 50 mg/ml lipase plus 25% PEG 3350 plus 0.10 M MES buffer at room temperature