5I38

Crystal Structure of tyrosinase from Bacillus megaterium with inhibitor kojic acid 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]	100
Detector technology	CCD
Collection date	2012-12-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93936
Spacegroup name	P 21 21 21
Unit cell lengths	70.240, 74.970, 121.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.824 - 2.600
R-factor	0.2097
Rwork	0.208
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p6r
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.831	40.567	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.082	0.252
Number of reflections	20671
<I/σ(I)>	9.7	7.6	2.5
Completeness [%]	90.4	86.9	99.3
Redundancy	6.2	6.5	5.8

Crystallization Conditions

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