9QNM

Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2

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	2023-07-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	52.260, 74.096, 63.596
Unit cell angles	90.00, 97.14, 90.00

Refinement procedure

Resolution	63.100 - 1.120
R-factor	0.1729
Rwork	0.172
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.025
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]	63.100	1.240
High resolution limit [Å]	1.120	1.120
Number of reflections	99522	4977
<I/σ(I)>	10.6
Completeness [%]	90.8
Redundancy	6.7
CC(1/2)	0.999	0.578

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