8SIJ

Crystal structure of F. varium tryptophanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	98.589, 98.589, 278.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 2.600
R-factor	0.241
Rwork	0.240
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	2.695
High resolution limit [Å]	2.600	2.602
Rmerge	0.141	1.662
Number of reflections	43050	4146
<I/σ(I)>	9.3	0.81
Completeness [%]	99.6	98.13
Redundancy	8.2
CC(1/2)	0.997	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.15 M tris hydrochloride pH 7, 1 M sodium citrate, and 0.2 M sodium chloride. Crystals formed in a 2:1 protein (11.1 mg/mL) to mother liquor ratio