7N79

O2-, PLP-dependent desaturase Plu4 holo-enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	75.022, 72.195, 76.271
Unit cell angles	90.00, 112.09, 90.00

Refinement procedure

Resolution	37.750 - 1.980
R-factor	0.1684
Rwork	0.166
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c3d
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.750	37.750	2.030
High resolution limit [Å]	1.980	9.060	1.980
Rmerge	0.070	0.051	2.012
Rmeas	0.076	0.055	2.185
Rpim	0.029	0.020	0.838
Total number of observations		4209	23147
Number of reflections	52155	588	3510
<I/σ(I)>	15.2	48	1.4
Completeness [%]	98.6	99	94.2
Redundancy	6.9	7.2	6.6
CC(1/2)	0.997	0.998	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Bis-Tris:HCl; 27% PEG 3350; 0.2 M ammonium acetate; microseeded from crystals grown at pH 6.0; soaked with 2 mM PLP for 2 h