9QYC

Polyester Hydrolase Leipzig 7 (PHL7) variant R4M12

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	2024-09-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	74.772, 74.772, 106.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.150 - 1.160
R-factor	0.1214
Rwork	0.121
R-free	0.14830
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.014
RMSD bond angle	1.469
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]	52.870	1.220
High resolution limit [Å]	1.160	1.160
Number of reflections	93166	4659
<I/σ(I)>	13.1
Completeness [%]	94.0
Redundancy	26.6
CC(1/2)	0.997	0.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M sodium citrate pH 5.6, 20% PEG 4000, 20% (v/v) isopropanol