6KUQ

Crystal strcuture of PETase A248D, R280K 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	2019-06-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97834
Spacegroup name	P 31 2 1
Unit cell lengths	51.236, 51.236, 179.091
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.890 - 1.910
R-factor	0.1574
Rwork	0.156
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xjh
RMSD bond length	0.012
RMSD bond angle	1.752
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmeas	0.148	0.332
Number of reflections	21740	1025
<I/σ(I)>	55.22
Completeness [%]	98.1
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	17% PEG 10K, 0.1M Bis-Tris, pH 5.0, 0.15M Ammonium acetate