8CJL

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	47.090, 58.090, 65.290
Unit cell angles	90.00, 103.57, 90.00

Refinement procedure

Resolution	45.780 - 1.830
R-factor	0.1966
Rwork	0.195
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	1.895
High resolution limit [Å]	1.830	1.830
Number of reflections	30237	2967
<I/σ(I)>	6.84	0.68
Completeness [%]	99.5
Redundancy	4
CC(1/2)	0.994	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	18% PEG6000, 0.1 M Tris pH 8.5