6ELS

Structure of latent apple tyrosinase (MdPPO1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97242
Spacegroup name	P 21 21 21
Unit cell lengths	50.700, 80.150, 115.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.454 - 1.346
R-factor	0.1447
Rwork	0.143
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.014
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.454	1.390
High resolution limit [Å]	1.346	1.346
Rmeas	0.120	1.174
Rpim	0.034	0.377
Number of reflections	104709	10123
<I/σ(I)>	11.72	2
Completeness [%]	99.5	97.6
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15 mg/ml latent enzyme, 100 mM TRIS-HCl pH 8.25, 13 % PEG8000