8D8P

Crystal structure of a novel fatty acid decarboxylase from Rothia nasimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRUS BEAMLINE MANACA
Synchrotron site	LNLS SIRUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4586
Spacegroup name	F 2 2 2
Unit cell lengths	57.545, 203.380, 316.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 2.750
R-factor	0.2301
Rwork	0.228
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1izo
RMSD bond length	0.005
RMSD bond angle	0.831
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.020	2.920
High resolution limit [Å]	2.750	2.750
Rmeas	0.350
Number of reflections	24500	3873
<I/σ(I)>	5.9	0.98
Completeness [%]	99.8	99.7
Redundancy	5.9
CC(1/2)	0.980	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25 % (w/v) PEG3500, 15% (w/v) 2-Methil-2,4-pentanediol, 0.1 M Imidazole (pH 6.5) and 0.2 M lithium sulfate