4P6S

Crystal Structure of tyrosinase from Bacillus megaterium with L-DOPA in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	80
Detector technology	CCD
Collection date	2013-04-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	78.880, 81.550, 84.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.004 - 2.200
R-factor	0.1934
Rwork	0.192
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	1.707
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.532	47.004	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.052	0.382
Rmeas	0.112
Rpim	0.039	0.019	0.142
Total number of observations	228410	7799	32190
Number of reflections	28169
<I/σ(I)>	13.1	25.5	5
Completeness [%]	99.8	99	99.4
Redundancy	8.1	7.9	8

Crystallization Conditions

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