8DAJ

Structure and Biochemistry of a Promiscuous Thermophilic Polyhydroxybutyrate Depolymerase from Lihuaxuella thermophilia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	45.510, 45.510, 211.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.930 - 1.200
R-factor	0.1637
Rwork	0.163
R-free	0.17720
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.930	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.134	0.473
Rmeas	0.138	0.517
Rpim	0.032	0.199
Number of reflections		6485
<I/σ(I)>	11.84	1.51
Completeness [%]	97.7	81.8
Redundancy	16.7	6
CC(1/2)	0.997	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1M citrate pH 5.6, 18% propanol, and 20% PEG 4000