8V08

Crystal structure of human PLD4 co-crystallized with 5'Pi-ssDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 31 2 1
Unit cell lengths	88.980, 88.980, 273.968
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.660 - 3.000
R-factor	0.2658
Rwork	0.263
R-free	0.31750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.096	0.040	1.659
Rmeas		0.041	1.724
Rpim		0.010	0.459
Number of reflections	26166	1462	1255
<I/σ(I)>	4.2
Completeness [%]	99.8	99.9	99.5
Redundancy	18.3	17.1	13.7
CC(1/2)		1.000	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2 M sodium chloride, 0.5 mM magnesium chloride, 0.1 M phosphate-citrate, pH 4.2, 10% w/v PEG3000