9JC9

CalA-like lipase from Ustilago trichophora (S200A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95372
Spacegroup name	P 61 2 2
Unit cell lengths	97.358, 97.358, 209.686
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.680 - 2.370
R-factor	0.1965
Rwork	0.194
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.680	2.456
High resolution limit [Å]	2.370	2.371
Rmerge	0.204	1.574
Number of reflections	24575	2321
<I/σ(I)>	20.96
Completeness [%]	99.7
Redundancy	39.3
CC(1/2)	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.5	293	0.1M NaOAc trihydrate pH 4.5, 30% v/v PEG 300