7V53

Crystal structure of full-length phospholipase D from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97774
Spacegroup name	P 21 21 21
Unit cell lengths	62.329, 111.467, 144.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.730 - 2.100
R-factor	0.1792
Rwork	0.177
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kz9
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.320	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.086	0.426
Rmeas	0.093	0.465
Rpim	0.037	0.183
Total number of observations	375158
Number of reflections	57759	4567
<I/σ(I)>	13.7
Completeness [%]	96.2	99.5
Redundancy	6.5	6.3
CC(1/2)	0.997	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291.1	0.2M Potassium Chloride, 0.05M Mg Chloride, 0.05M Tris Hydrochloride, 10% Polyethylene Glycol 4000