7RF9

O2-, PLP-dependent desaturase Plu4 intermediate-bound 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	74.922, 70.279, 138.568
Unit cell angles	90.00, 98.11, 90.00

Refinement procedure

Resolution	38.328 - 1.926
R-factor	0.1532
Rwork	0.151
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c3d
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.160	39.160	1.960
High resolution limit [Å]	1.926	10.550	1.930
Rmerge	0.192	0.096	2.211
Rmeas	0.199	0.099	2.307
Rpim	0.054	0.026	0.646
Total number of observations		9943	58931
Number of reflections	106646	706	4801
<I/σ(I)>	11.1	29	1.9
Completeness [%]	98.8	98.3	90.7
Redundancy	13.6	14.1	12.3
CC(1/2)	0.996	0.996	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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 and 3 mM L-arginine for 8 min