9HE3

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP778902

This is a non-PDB format compatible entry.

Replaces:  7ZIK

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	2015-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	47.090, 57.581, 62.587
Unit cell angles	107.65, 93.14, 90.15

Refinement procedure

Resolution	47.010 - 2.589
R-factor	0.230665399004
Rwork	0.229
R-free	0.25864
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.668
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]	47.010	2.682
High resolution limit [Å]	2.589	2.589
Rmerge	0.184	0.789
Number of reflections	18984	1763
<I/σ(I)>	6.77
Completeness [%]	97.5
Redundancy	3.5
CC(1/2)	0.983	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	27% w/v PEG 3350, 0.1 M Bis-Tris pH 6.5