37BV

Crystal Structure of Thermomyces lanuginosa Lipase With Bound 1,3 Diacylglycerol and Fatty Acid Acyl Intermediates: Space Group H32

Replaces:  6O8VReplaces:  6XOK

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	2024-12-16
Detector	STFC Large Pixel Detector
Wavelength(s)	1.00
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	0.1244
Rwork	0.123
R-free	0.15660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.610
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.000	1.333
High resolution limit [Å]	1.300	1.300
Rmerge	0.490	0.360
Rmeas	0.050	0.461
Rpim	0.490	0.205
Number of reflections	58354	463
<I/σ(I)>	8.7	2.6
Completeness [%]	87.9	14.4
Redundancy	31
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	Vapor diffusion in sitting drops. reservoirs 0.6 ml and drop size of 6 ul. reservoir 12 % Peg 3350 buffered with 0.1 M HEPES. Drop initially 3 ul of a 30 mg/ml protein stack solution plus 3 ul of reservoir. Time for crystal formation about 3 to 5 days. The protein was in the growth broth of the aspergillum expression system and was not purified