6UNV

Crystal structure of a methanol tolerant lipase/esterase from the fungus Rasamsonia emersonii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	I 41 2 2
Unit cell lengths	91.000, 91.000, 116.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.587 - 3.000
R-factor	0.284
Rwork	0.279
R-free	0.32870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ch8
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.587	2.700
High resolution limit [Å]	2.550	2.550
Rmeas	0.290
Number of reflections	8208	1276
<I/σ(I)>	8.94
Completeness [%]	99.7	98.5
Redundancy	19.69
CC(1/2)	0.990	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	100 mmol/L MgCl2, 20% PEG 8000, 20% PEG 400, 100 mmol/L Tris buffer pH 8.5