30RG

Putative Polyurethane Degrading Amidase Bound to 2,4-TDA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-13
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.7293
Spacegroup name	P 61 2 2
Unit cell lengths	111.140, 111.140, 433.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.380 - 1.700
R-factor	0.2732
Rwork	0.273
R-free	0.28540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.653
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.460	1.700
High resolution limit [Å]	1.696	1.696
Number of reflections	175296	12685
<I/σ(I)>	18.05
Completeness [%]	99.9
Redundancy	20
CC(1/2)	0.990	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 % w/v PEG 3,350; 0.2 M Magnesium Acetate