8W1K

Crystal Structure of a fatty acid decarboxylase from Corynebacterium lipophiloflavum in complex with oleic 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	2021-05-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9772
Spacegroup name	C 2 2 21
Unit cell lengths	158.905, 170.367, 121.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.950 - 1.700
R-factor	0.1697
Rwork	0.168
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.102
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	1.800
High resolution limit [Å]	1.700	5.080	1.700
Rmerge	0.116	0.056	1.016
Rmeas	0.153	0.069	1.399
Number of reflections	179979	4369	24273
<I/σ(I)>	4.02
Completeness [%]	79.3
Redundancy	13.55
CC(1/2)	0.991	0.993	0.260

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30 % (w/v) PEG4000, 0.2 M MgCl2 and 0.1 M Hepes pH 7.5. The protein was concentrated in Buffer GF containing HEPES, NaCl, 1 mM oleic acid, and 5% Glycerol.