9QBN

Crystal structure of the polyester hydrolase Leipzig 7 (PHL7) mut3 variant with glycosylation by expression in Pichia pastoris (P_PHL7mut3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	45.422, 63.997, 101.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.430 - 1.370
R-factor	0.1349
Rwork	0.134
R-free	0.16840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.725
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.030	1.490
High resolution limit [Å]	1.370	1.370
Number of reflections	47787	2389
<I/σ(I)>	7.7
Completeness [%]	89.8
Redundancy	8
CC(1/2)	0.995	0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.2 M Lithium Sulfate, 0.1 M Tris-HCl (pH 8.5), 30% w/v PEG 4000