9QYA

Polyester Hydrolase Leipzig 7 (PHL7) variant R4M6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 61 2 2
Unit cell lengths	80.375, 80.375, 137.818
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.130 - 1.530
R-factor	0.1595
Rwork	0.157
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.726
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.130	1.710
High resolution limit [Å]	1.530	1.530
Number of reflections	27315	1366
<I/σ(I)>	15.4
Completeness [%]	96.0
Redundancy	38.4
CC(1/2)	0.900	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	1.1 M sodium malonate, 0.1 M HEPES pH 7.0, 0.5% (v/v) Jeffamine ED-2003