7E7L

The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes.

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	2020-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.946, 225.548, 234.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.591 - 3.530
R-factor	0.2946
Rwork	0.290
R-free	0.35840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fau
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.590
High resolution limit [Å]	3.498	9.560	3.530
Rmerge	0.221	0.057	0.786
Rmeas	0.239	0.063	0.848
Rpim	0.092	0.025	0.318
Number of reflections	28962	1555	1464
<I/σ(I)>	2.4
Completeness [%]	99.9	98.9	100
Redundancy	6.6	6.2	7
CC(1/2)		0.997	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291.15	0.1M MES pH 6.0, 0.2M Sodium chloride, 20% w/v PEG 2000 MME