7JRC

Phospholipase D engineered mutant in complex with phosphate

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	58.900, 84.499, 98.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.320 - 2.010
Rwork	0.155
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ze4
RMSD bond length	0.008
RMSD bond angle	1.206
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]	48.320	2.080
High resolution limit [Å]	2.010	2.010
Rmerge	0.145
Number of reflections	33688	3255
<I/σ(I)>	12.64
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.997	0.824

Crystallization Conditions

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