4P6T

Crystal Structure of tyrosinase from Bacillus megaterium with p-tyrosol in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-04-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	47.690, 78.090, 84.280
Unit cell angles	90.00, 105.96, 90.00

Refinement procedure

Resolution	56.230 - 2.500
Rwork	0.208
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.031	56.229	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.089	0.240
Rmeas	0.134
Rpim	0.076	0.062	0.162
Total number of observations	60015	2000	8444
Number of reflections	20094
<I/σ(I)>	7.3	11.1	3.9
Completeness [%]	97.4	97.4	95.5
Redundancy	3	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG8000, sodium cacodylate