6OHQ

Structure of compound 4 bound human Phospholipase D2 catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	90.227, 131.517, 106.414
Unit cell angles	90.00, 112.05, 90.00

Refinement procedure

Resolution	49.315 - 2.694
R-factor	0.2091
Rwork	0.206
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ohm
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.690	2.700
Number of reflections	43049	4306
<I/σ(I)>	3.9
Completeness [%]	98.2
Redundancy	3.4
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M ammonium sulfate, 20% PEG3350, 0.1M bis-tris pH 6.7