9H2O

Crystal structure of apo-tyrosinase from Priestia megaterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2022-07-18
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	47.648, 78.223, 85.526
Unit cell angles	90.00, 104.93, 90.00

Refinement procedure

Resolution	41.320 - 1.800
R-factor	0.1863
Rwork	0.183
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.065
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.19_4092)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.050	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	54965	5206
<I/σ(I)>	6.1
Completeness [%]	97.7	92.8
Redundancy	1.9	1.8
CC(1/2)	0.987	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	295.15	0.1 M magnesium formate dihydrate, 15% PEG 3500