6Z1S

Structure of Polyphenol Oxidase (mutant G292N) from Thermothelomyces thermophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98012
Spacegroup name	P 21 21 2
Unit cell lengths	86.404, 97.177, 46.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.240 - 1.530
R-factor	0.15989
Rwork	0.157
R-free	0.20659
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j3q
RMSD bond length	0.010
RMSD bond angle	1.679
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.240	1.719
High resolution limit [Å]	1.530	1.554
Number of reflections	30047	1502
<I/σ(I)>	12.4
Completeness [%]	86.3
Redundancy	13.3
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Moprheus buffer 3, amino acids mix, MPD, PEG1000, PEG3350