8X6V

Crystal structure of GlacPETase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	55.343, 91.170, 99.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.585 - 1.797
R-factor	0.1836
Rwork	0.182
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.764
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.585	1.890
High resolution limit [Å]	1.797	1.800
Rmerge	0.142	0.951
Number of reflections	47676	6872
<I/σ(I)>	14.3
Completeness [%]	100.0
Redundancy	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293.15	0.1 M Tris, 0.1 M Potassium thiocyanate, 0.1 M Sodium bromide and 25% v/v PEG smear Broad (pH 7.8)