9LTX

Crystal structure of a polyketide decarboxylase Abx(+)O from Actinomycetes sp. MA7150

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979150
Spacegroup name	P 43 21 2
Unit cell lengths	58.862, 58.862, 135.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.790 - 1.990
R-factor	0.2153
Rwork	0.211
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.800	35.800	2.110
High resolution limit [Å]	1.990	5.930	1.990
Rmerge	0.069	0.040	0.428
Rmeas	0.071	0.041	0.445
Number of reflections	31084	1171	5007
<I/σ(I)>	23.93
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.999	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.26 M Sodium phosphate monobasic monohydrate, 0.14 M Potassium phosphate dibasic