8R2S

Heme-dependent l-tyrosine hydroxylase (TyrH) from Streptomyces sclerotialus: fourfold mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.873130
Spacegroup name	P 2 21 21
Unit cell lengths	51.610, 74.834, 156.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.450 - 2.700
R-factor	0.21132
Rwork	0.208
R-free	0.28663
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.680
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	156.910	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.187	0.799
Rmeas	0.221	0.872
Rpim	0.087	0.345
Total number of observations		14381
Number of reflections	17405	2266
<I/σ(I)>	7.1	2.4
Completeness [%]	99.9
Redundancy	6.4	6.3
CC(1/2)	0.987	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	1 M imidazole/Mes monohydrate, 0.2 M sodium formate, 0.2 M ammonium acetate, 0.2 sodium citrate tribasic dihydrate, 0.2 M sodium potassium tartrate tetrahydrate, 0.2 M sodium oxamate