9QDV

Crystal structure of the polyester hydrolase Leipzig 7 (PHL7) mut3 variant expressed in E. coli (E_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	2024-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7300
Spacegroup name	C 1 2 1
Unit cell lengths	150.441, 43.902, 100.123
Unit cell angles	90.00, 130.87, 90.00

Refinement procedure

Resolution	32.930 - 0.890
R-factor	0.1187
Rwork	0.119
R-free	0.13100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.205
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]	75.720	0.960
High resolution limit [Å]	0.890	0.890
Number of reflections	292736	14640
<I/σ(I)>	9.5
Completeness [%]	92.5
Redundancy	6.9
CC(1/2)	0.997	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.2 M NaCl, 0.1 M HEPES, pH 7.5, 25% w/v PEG 3350