8XTC

Crystal structure of a novel PU plastic degradation urethanase UMG-SP2 mutant from uncultured bacterium in complex with ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	86.800, 86.800, 276.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.270 - 2.400
R-factor	0.2086
Rwork	0.206
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.513
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	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	42385	3050
<I/σ(I)>	6.69
Completeness [%]	99.8
Redundancy	25.1	25.6
CC(1/2)	0.995	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M Mgcl2, 0.1M Tris pH8.5, 30% PEG4000