4OUA

Coexistent single-crystal structure of latent and active mushroom tyrosinase (abPPO4) mediated by a hexatungstotellurate(VI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-15
Detector	PSI PILATUS 6M
Wavelength(s)	0.9173
Spacegroup name	C 1 2 1
Unit cell lengths	213.530, 83.720, 66.950
Unit cell angles	90.00, 102.53, 90.00

Refinement procedure

Resolution	48.132 - 2.763
R-factor	0.1881
Rwork	0.186
R-free	0.22780
RMSD bond length	0.011
RMSD bond angle	0.587
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (Phaser (MR))
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.132	12.360	2.840
High resolution limit [Å]	2.760	8.740	2.760
Rmerge	0.129	0.027	0.607
Number of reflections		1164	3502
<I/σ(I)>	6.53	24.08	1.49
Completeness [%]	92.6	98.3	82.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10% PEG4000, 1 mM Na6[TeW6O24].22H2O, 25 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K