5I3B

Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	69.620, 74.420, 119.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.425 - 2.200
R-factor	0.1872
Rwork	0.186
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p6r
RMSD bond length	0.003
RMSD bond angle	0.633
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.200	33.425	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.046	0.326
Rmeas	0.087	0.051	0.353
Rpim	0.033	0.020	0.132
Total number of observations	214516	6869	32366
Number of reflections	32260
<I/σ(I)>	15.4	29	5.8
Completeness [%]	99.8	99.1	99.9
Redundancy	6.6	6.1	6.9

Crystallization Conditions

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