9QDE

Crystal structure of the non-glycosylated polyester hydrolase Leipzig 7 (PHL7) mut3 variant expressed in Pichia pastoris (P_PHL7mut3_ng)

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 EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	46.052, 59.014, 86.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.920 - 1.020
R-factor	0.1243
Rwork	0.124
R-free	0.14960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.125
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]	48.690	1.120
High resolution limit [Å]	1.020	1.020
Rmerge	0.055	1.147
Rmeas	0.058
Rpim	0.016	0.420
Number of reflections	90273	4515
<I/σ(I)>	18.4
Completeness [%]	93.7
Redundancy	7.9
CC(1/2)	0.999	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.1 M Bicine (pH 9.0), 5% w/v PEG 6000