7ZIJ

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080

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	2015-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	47.050, 57.650, 69.481
Unit cell angles	90.00, 109.71, 90.00

Refinement procedure

Resolution	44.292 - 1.947
R-factor	0.188234943903
Rwork	0.186
R-free	0.22554
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mlw
RMSD bond length	0.010
RMSD bond angle	1.227
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]	47.050	2.020
High resolution limit [Å]	1.947	1.950
Rmerge	0.081	0.608
Number of reflections	25548	2405
<I/σ(I)>	10.41
Completeness [%]	98.9
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% w/v PEG 5000 MME, 200 mM ammonium fluoride