8CJN

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070

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	2016-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	46.884, 58.018, 59.115
Unit cell angles	90.00, 98.05, 90.00

Refinement procedure

Resolution	39.137 - 1.681
R-factor	0.167222768074
Rwork	0.166
R-free	0.19721
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.201
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.140	1.741
High resolution limit [Å]	1.681	1.681
Number of reflections	35715	3470
<I/σ(I)>	13.89	1.77
Completeness [%]	99.6
Redundancy	3.9
CC(1/2)	0.998	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% PEG3350, 0.2 M NaF