8VWK

Crystal Structure of a fatty acid decarboxylase from Kocuria marina in complex with myristic 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	2023-04-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 31 2 1
Unit cell lengths	88.722, 88.722, 117.975
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.790 - 2.050
R-factor	0.2028
Rwork	0.202
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.627
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]	46.790	46.790	2.170
High resolution limit [Å]	2.050	6.100	2.050
Rmerge	0.098	0.042	2.967
Rmeas	0.100	0.043	3.046
Number of reflections	34276	1420	5461
<I/σ(I)>	18.07
Completeness [%]	100.0
Redundancy	20
CC(1/2)	1.000	1.000	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10 % w/v PEG400, 4 M NaCl and 0.1 M Hepes (pH 7.5). The protein was concentrated to 60 mg/mL in 100 mM potassium phosphate, 5 % (w/v) glycerol, 150 mM NaCl, pH 7.5