8S9R

SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 41 2 2
Unit cell lengths	129.146, 129.146, 251.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.580 - 2.600
R-factor	0.2004
Rwork	0.199
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.580	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.105	1.649
Rmeas	0.112	1.780
Rpim	0.041	0.666
Number of reflections	66388	4385
<I/σ(I)>	19.1	1.6
Completeness [%]	100.0	99.6
Redundancy	13.9	13.5
CC(1/2)	0.999	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	289.15	2uL 6.1 mg/ml SAL2 (20mM Tris pH 8.0, 300mM NaCl) were mixed with 2ul of reservoir solution. Sitting drop reservoir contained 500ul of 1M ammonium phosphate and 0.1M Tris pH 8.6. Crystal was frozen in a solution of ~25% ethylene glycol, 75% reservoir.