6QXD

Crystal Structure of tyrosinase from Bacillus megaterium with JKB inhibitor in the active site.

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	PIXEL
Collection date	2018-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97242
Spacegroup name	P 1 21 1
Unit cell lengths	48.129, 78.263, 84.873
Unit cell angles	90.00, 105.82, 90.00

Refinement procedure

Resolution	46.021 - 2.317
R-factor	0.2011
Rwork	0.199
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p6r
RMSD bond length	0.003
RMSD bond angle	0.766
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.021	2.357
High resolution limit [Å]	2.317	2.317
Rmerge	0.103	0.754
Rmeas	0.116	0.850
Rpim	0.052	0.386
Number of reflections	26119
<I/σ(I)>	8
Completeness [%]	98.7
Redundancy	4.4
CC(1/2)	0.991	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG 8000, 0.1M sodium cacodylate