9H1T

Crystal structure of apo-tyrosinase from Priestia megaterium F227Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	93
Detector technology	PIXEL
Collection date	2022-11-15
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	47.894, 78.631, 86.587
Unit cell angles	90.00, 103.97, 90.00

Refinement procedure

Resolution	40.010 - 2.140
R-factor	0.2079
Rwork	0.204
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.955
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]	57.430	2.220
High resolution limit [Å]	2.140	2.140
Number of reflections	33209	3342
<I/σ(I)>	7.6	4.3
Completeness [%]	96.7	97.3
Redundancy	1.9	2
CC(1/2)	0.825	0.804

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