8W1J

Crystal Structure of a fatty acid decarboxylase from Corynebacterium lipophiloflavum in complex with palmitic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9772
Spacegroup name	C 2 2 21
Unit cell lengths	157.926, 171.018, 122.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 1.800
R-factor	0.1776
Rwork	0.176
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.011
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.740	49.740	1.910
High resolution limit [Å]	1.800	5.370	1.800
Rmerge	0.126	0.049	0.845
Rmeas	0.160	0.061	1.089
Number of reflections	152317	3838	18598
<I/σ(I)>	4.94
Completeness [%]	100.0
Redundancy	13.53
CC(1/2)	0.990	0.995	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30 % (w/v) PEG4000, 0.2 M MgCl2, 0.1 M HEPES pH 7.5. The proteins were concentrated in GF buffer with 5 % glycerol and 1 mM palmitic acid.