5XJH

Crystal structure of PETase from Ideonella sakaiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6D
Synchrotron site	PAL/PLS
Beamline	6D
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-05
Detector	RAYONIX SX-165mm
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	43.475, 50.395, 129.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.343 - 1.540
R-factor	0.1611
Rwork	0.160
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vis
RMSD bond length	0.026
RMSD bond angle	2.286
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	42939
<I/σ(I)>	31.4
Completeness [%]	99.9
Redundancy	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	BIS-Tris, Ammonium acetate, PEG 10000
1	VAPOR DIFFUSION, HANGING DROP	5	293	BIS-Tris, Ammonium acetate, PEG 10000