6ZTH

Phospholipase PlaB from Legionella pneumophila

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	2017-09-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	75.806, 170.578, 93.485
Unit cell angles	90.00, 92.86, 90.00

Refinement procedure

Resolution	49.240 - 2.300
R-factor	0.3662
Rwork	0.364
R-free	0.41270
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (dev_3922)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.240	49.240	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.243	0.087	1.246
Rmeas	0.263	0.094	1.347
Rpim	0.099	0.036	0.508
Total number of observations	728092	4502	35630
Number of reflections	104870	657	5140
<I/σ(I)>	5.9	16.8	1.5
Completeness [%]	99.9	98.3	99.9
Redundancy	6.9	6.9	6.9
CC(1/2)	0.992	0.997	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	77.8 mM NaSCN, 1.67% glycerol, 5.44% PEG400, 11.6% 2-propanol, 4.11% tacsimate , seeding required