4P6R

Crystal Structure of tyrosinase from Bacillus megaterium with tyrosine 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 1 21 1
Unit cell lengths	49.800, 78.680, 85.820
Unit cell angles	90.00, 102.63, 90.00

Refinement procedure

Resolution	41.872 - 2.200
R-factor	0.194
Rwork	0.191
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.170
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]	83.743	41.872	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.050	0.153
Rmeas	0.083
Rpim	0.044	0.028	0.097
Total number of observations	108133	4096	15126
Number of reflections	31929
<I/σ(I)>	11.2	19.3	5.8
Completeness [%]	97.1	97.5	95.7
Redundancy	3.4	3.9	3.3

Crystallization Conditions

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