8CMX

Structure of sphingosine-1-phosphate lyase (SPL) from Aspergillus fumigatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 65 2 2
Unit cell lengths	130.070, 130.070, 234.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.020 - 3.460
R-factor	0.28465
Rwork	0.284
R-free	0.29551
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.500	3.740
High resolution limit [Å]	3.460	3.460
Rmerge	0.317
Number of reflections	12600	631
<I/σ(I)>	15.1	1.5
Completeness [%]	95.1	71.9
Redundancy	36.7	39
CC(1/2)	0.998	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1M Hepes sodium pH 7.5 1.4 M Sodium citrate tribasic dihydrate DMSO 1% Cryoprotection = mother liquor + 20% Glycerol AfuSPL = 93 microM