4J6U

Crystal Structure of Tyrosinase from Bacillus megaterium N205A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9393
Spacegroup name	P 1 21 1
Unit cell lengths	48.080, 78.770, 85.990
Unit cell angles	90.00, 104.63, 90.00

Refinement procedure

Resolution	28.601 - 2.500
R-factor	0.2092
Rwork	0.207
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nm8
RMSD bond length	0.023
RMSD bond angle	1.555
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.202	28.601	2.510
High resolution limit [Å]	2.385	7.540	2.385
Rmerge	0.099	0.050	0.191
Total number of observations		2513	11154
Number of reflections	24549
<I/σ(I)>	6.4	11.8	3.3
Completeness [%]	98.9	89	98
Redundancy	3.4	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M sodium cacodylate, pH 6.5, 18% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K