8CMV

Engineered PETase enzyme from LCC - C09 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.73380
Spacegroup name	P 63
Unit cell lengths	108.876, 108.876, 35.402
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.497 - 1.280
Rwork	0.163
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.711
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MLPHARE
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.497	1.302
High resolution limit [Å]	1.280	1.280
Number of reflections	62178	3088
<I/σ(I)>	6.5
Completeness [%]	100.0
Redundancy	20.8
CC(1/2)	0.998	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Sodium citrate tribasic dihydrate 1M Isopropanol 20% PEG 4K 20%