8XRZ

Crystal structure of a novel PU plastic degradation enzyme with ligand from Thermaerobacter marianensis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	P 61
Unit cell lengths	81.566, 81.566, 667.529
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.520 - 2.110
R-factor	0.19262
Rwork	0.191
R-free	0.22514
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.528
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.110
Number of reflections	143267	14345
<I/σ(I)>	11.5
Completeness [%]	99.9
Redundancy	33
CC(1/2)	0.996	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2.6M ,