7T63

Crystal structure of a delta 6 18:0-ACP desaturase from Thunbergia laurifolia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.74333
Spacegroup name	P 21 21 2
Unit cell lengths	100.896, 129.700, 62.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.820 - 2.000
R-factor	0.2085
Rwork	0.208
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1afr
RMSD bond angle	17.216
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	90410	1389
<I/σ(I)>	10.5
Completeness [%]	84.6
Redundancy	7.6
CC(1/2)	0.996	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	0.1M BICINE, 2-4% v/v 1,4-Dioxane, 10% w/v Polyethylene glycol 20000