8CJM

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	46.700, 57.370, 54.930
Unit cell angles	90.00, 96.77, 90.00

Refinement procedure

Resolution	36.070 - 1.900
R-factor	0.2173
Rwork	0.215
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.886
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]	36.070	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	22203	2203
<I/σ(I)>	8.19
Completeness [%]	97.1
Redundancy	5
CC(1/2)	0.997	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	19% PEG 3350