5YNS

Crystal structure of PETase R280A mutant from Ideonella sakaiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-24
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	43.607, 50.586, 129.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.300 - 1.360
R-factor	0.1627
Rwork	0.161
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xjh
RMSD bond length	0.025
RMSD bond angle	2.249
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.360
Rmerge	0.064	0.374
Number of reflections	62494
<I/σ(I)>	40.79
Completeness [%]	98.7
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	BIS-Tris, Ammonium acetate, PEG 10000