4HD6

Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant soaked in CuSO4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Collection date	2011-02-17
Wavelength(s)	0.976300
Spacegroup name	P 1 21 1
Unit cell lengths	48.180, 78.910, 85.810
Unit cell angles	90.00, 106.13, 90.00

Refinement procedure

Resolution	41.216 - 2.000
R-factor	0.248
Rwork	0.245
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.244
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.432	41.216	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.046	0.285
Total number of observations		3302	13396
Number of reflections	40762
<I/σ(I)>	6.6	11.5	2
Completeness [%]	97.5	94.2	96.8
Redundancy	2.3	2.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 8000, sodium cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 293K