7KQT

A 1.84-A resolution crystal structure of heme-dependent L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine and cyanide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	47.375, 129.446, 48.401
Unit cell angles	90.00, 94.29, 90.00

Refinement procedure

Resolution	48.266 - 1.835
R-factor	0.2048
Rwork	0.203
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kqr
RMSD bond length	0.007
RMSD bond angle	0.883
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.870
High resolution limit [Å]	1.835	4.990	1.840
Rmerge	0.134	0.083	0.948
Rmeas	0.146	0.089	1.034
Rpim	0.056	0.033	0.407
Number of reflections	49481	2544	2472
<I/σ(I)>	4.7
Completeness [%]	98.6	99.1	99.4
Redundancy	6.6	6.9	6.4
CC(1/2)		0.995	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M Bis-Tris (pH 6.1), 0.2 M MgCl2, and 16% (w/v) PEG 3350