8SBG

Crystal structure of B. theta tryptophanase in holo form

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	2021-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0330
Spacegroup name	P 64 2 2
Unit cell lengths	100.836, 100.836, 228.406
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.110 - 1.940
R-factor	0.2215
Rwork	0.221
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.965
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]	29.110	2.040
High resolution limit [Å]	1.940	1.940
Rmerge	0.025	0.783
Number of reflections	51350	4796
<I/σ(I)>	14.66	0.75
Completeness [%]	99.0	90.83
Redundancy	2
CC(1/2)	1.000	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.0065 M tris hydrochloride pH 8.5, 5.2% w/v PEG3350, 35% w/w glycerol