7JRB

Phospholipase D engineered mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953734
Spacegroup name	P 21 21 21
Unit cell lengths	59.009, 84.473, 98.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.184 - 2.493
Rwork	0.185
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ze4
RMSD bond length	0.007
RMSD bond angle	0.934
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]	49.200	2.580
High resolution limit [Å]	2.490	2.490
Rmerge	0.100	0.760
Number of reflections	17644	1641
<I/σ(I)>	13.2
Completeness [%]	99.4
Redundancy	6.6
CC(1/2)	0.998	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	15% PEG6000, 100 mM MES, pH 6.0