9QT8

Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2-P155G

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	2023-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	52.828, 74.254, 63.553
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	31.490 - 1.210
R-factor	0.1438
Rwork	0.143
R-free	0.17780
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.909
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]	62.980	1.350
High resolution limit [Å]	1.210	1.210
Number of reflections	87694	4385
<I/σ(I)>	11.3
Completeness [%]	91.6
Redundancy	7
CC(1/2)	0.999	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M sodium citrate pH 4.0, 10% (w/v) PEG 6000, 3% (v/v) 1,6-hexanediol