7RGB

O2-, PLP-dependent desaturase Plu4 product-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	76.372, 72.186, 139.626
Unit cell angles	90.00, 98.44, 90.00

Refinement procedure

Resolution	37.772 - 2.500
R-factor	0.236
Rwork	0.234
R-free	0.26930
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]	39.740	39.740	2.580
High resolution limit [Å]	2.500	10.310	2.500
Rmerge	0.260	0.074	5.508
Rmeas	0.270	0.076	5.741
Rpim	0.073	0.020	1.576
Total number of observations	706448	11099	58431
Number of reflections	51795	796	4444
<I/σ(I)>	7.3	17.3	1.5
Completeness [%]	99.1	98.5	98
Redundancy	13.6	13.9	13.1
CC(1/2)	0.995	0.998	0.486

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 16 h