8A26

Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.3778
Spacegroup name	P 31 2 1
Unit cell lengths	82.919, 82.919, 68.639
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.620 - 1.450
R-factor	0.1555
Rwork	0.154
R-free	0.17620
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.620	49.620	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge	0.063	0.030	1.335
Rmeas	0.064	0.031	1.356
Rpim	0.011	0.005	0.238
Total number of observations	1592101	51964	226368
Number of reflections	48623	1665	7019
<I/σ(I)>	33.6	127.3	2.9
Completeness [%]	100.0	99.9	100
Redundancy	32.7	31.2	32.3
CC(1/2)	1.000	1.000	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	2.2 M (NH4)2SO4, 0.2 M NH4 acetate cryoprotection: 10% (v/v) (2R,3R)-(-)-2,3-butandiole, 2.2 M (NH4)2SO4, 0.2 M NH4 acetate