7DZT

Cyrstal structure of PETase from Rhizobacter gummiphilus

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	2020-05-23
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	69.267, 75.512, 200.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.900 - 2.350
R-factor	0.2027
Rwork	0.200
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xjh
RMSD bond length	0.007
RMSD bond angle	1.548
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.114	0.077	0.289
Rmeas	0.124	0.086	0.314
Rpim	0.049	0.039	0.121
Total number of observations	144474
Number of reflections	22066	1063	1078
<I/σ(I)>	19.2
Completeness [%]	99.2	87.6	100
Redundancy	6.5	5.1	6.7
CC(1/2)		0.989	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5	298	PEG 3350, Bis-tris