8XHO

Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-04
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54184
Spacegroup name	P 21 21 2
Unit cell lengths	88.148, 85.560, 69.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 2.500
R-factor	0.22563
Rwork	0.222
R-free	0.25624
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.640	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.150	0.406
Rmeas	0.159	0.441
Rpim	0.050	0.169
Total number of observations		13904
Number of reflections	18742	2080
<I/σ(I)>	12.4	4.2
Completeness [%]	99.7
Redundancy	9.7	6.7
CC(1/2)	0.993	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES pH6.5; 40% v/v PEG 500 MME; 20 % w/v PEG 20000