7EOA

HR-PETase from Bacterium HR29

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	52.490, 52.490, 197.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.520 - 1.240
R-factor	0.1687
Rwork	0.168
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eb0
RMSD bond length	0.005
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.840	1.270
High resolution limit [Å]	1.240	1.240
Rmerge	0.047	0.428
Rmeas	0.048	0.428
Rpim	0.010	0.223
Number of reflections	78799	5427
<I/σ(I)>	30.8
Completeness [%]	99.3
Redundancy	19.3
CC(1/2)	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Tris-HCl pH 8.4, ethanol 19.5% (v/v)