4J6V

Crystal Structure of Tyrosinase from Bacillus megaterium N205D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	54.900, 78.330, 82.160
Unit cell angles	90.00, 105.50, 90.00

Refinement procedure

Resolution	39.392 - 1.900
R-factor	0.194
Rwork	0.193
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.396
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.172	43.841	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.069	0.063	0.251
Total number of observations		3775	26596
Number of reflections	51526
<I/σ(I)>	11.7	9	1.6
Completeness [%]	97.6	71.1	98.1
Redundancy	3.5	3.1	3.5

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