30VA

Putative Polyurethane Degrading Esterase Bound to TDA Transition Stata Analogue

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	2026-04-10
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.7293
Spacegroup name	P 21 21 21
Unit cell lengths	54.503, 92.306, 99.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.140 - 1.390
R-factor	0.1524
Rwork	0.151
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.623	1.410
High resolution limit [Å]	1.386	1.386
Number of reflections	102129	4971
<I/σ(I)>	10.5
Completeness [%]	99.8
Redundancy	10.5
CC(1/2)	0.990	0.308

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 % PEG 3,350; 0.15 M Calcium Acetate