8CJO

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004

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	2015-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	47.218, 57.776, 69.600
Unit cell angles	90.00, 109.34, 90.00

Refinement procedure

Resolution	44.314 - 1.866
R-factor	0.171406554086
Rwork	0.169
R-free	0.20934
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.369
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]	44.314	1.933
High resolution limit [Å]	1.866	1.866
Rmerge		0.777
Number of reflections	29458	2878
<I/σ(I)>	13.01
Completeness [%]	99.6
Redundancy	4.5
CC(1/2)	0.998	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20 % PEG 3350, 0.2 M Potassium acetate