9QV8

Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2-A186S

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	52.104, 73.732, 63.760
Unit cell angles	90.00, 97.20, 90.00

Refinement procedure

Resolution	42.740 - 1.250
R-factor	0.1929
Rwork	0.193
R-free	0.22400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.260	1.440
High resolution limit [Å]	1.250	1.340
Number of reflections	117925	3243
<I/σ(I)>	9.9
Completeness [%]	88.9
Redundancy	6.3
CC(1/2)	0.998	0.624

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