7JRW

Phospholipase D engineered mutant bound to phosphatidic acid (5 day soak)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953700
Spacegroup name	P 21 21 21
Unit cell lengths	58.663, 84.485, 98.992
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.190 - 1.990
Rwork	0.161
R-free	0.19610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ze4
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.190	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.098	0.385
Number of reflections	34391	3376
<I/σ(I)>	17.66
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.998	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	15% PEG6000, 100 mM MES, pH 6.0