3NQ1

Crystal Structure of Tyrosinase from Bacillus megaterium in complex with inhibitor kojic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	51.380, 83.530, 146.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.085 - 2.300
R-factor	0.2617
Rwork	0.260
R-free	0.29390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.528
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.080	48.720	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.034	0.292
Number of reflections	24154
<I/σ(I)>	9.1	14.9	2.4
Completeness [%]	84.7	80.7	72.8
Redundancy	2.2	2.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	290	PEG 8000, zinc acetate, sodium cacodylate, pH 6.1, vapor diffusion, hanging drop, temperature 290K