8CJI

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052

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	46.840, 57.700, 58.800
Unit cell angles	90.00, 97.66, 90.00

Refinement procedure

Resolution	41.000 - 1.650
R-factor	0.2379
Rwork	0.236
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.775
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]	41.000	1.709
High resolution limit [Å]	1.650	1.650
Number of reflections	37090	3621
<I/σ(I)>	11.43	1.07
Completeness [%]	98.9
Redundancy	5
CC(1/2)	0.998	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	21% PEG3350, 0.2 M NaCl