9WGZ

Tryptophan hydroxylase mutant - Y235S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	123.340, 123.340, 46.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.560 - 1.857
R-factor	0.1817
Rwork	0.180
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.855
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.560	1.900
High resolution limit [Å]	1.857	1.857
Number of reflections	30984	1867
<I/σ(I)>	17.2
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.999	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.1 M BIS-TRIS, pH 6.5, 20% w/v Polyethylene glycol 1,500.