8WDW

Crystal structure of a novel PU plastic degradation urethanase UMG-SP2 from uncultured bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	88.430, 88.430, 277.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.220 - 2.160
R-factor	0.1664
Rwork	0.164
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.160	2.160
Number of reflections	59940	4311
<I/σ(I)>	12.98	1.88
Completeness [%]	99.7
Redundancy	13.6	11.4
CC(1/2)	0.998	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	MgCl2, Tris, PEG4000