8V9P

Proteus vulgaris tryptophan indole-lyase complexed with (3S)-dioxindolyl-L-alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	67.342, 112.717, 119.518
Unit cell angles	90.00, 97.91, 90.00

Refinement procedure

Resolution	61.870 - 1.850
R-factor	0.2014
Rwork	0.199
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.612
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.870	1.870
High resolution limit [Å]	1.845	1.845
Number of reflections	76925	3846
<I/σ(I)>	5.1
Completeness [%]	91.3
Redundancy	6.5
CC(1/2)	0.980	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M potassium phosphate, pH 8.0, 1 mM DTT, 0.1 mM PLP, 22% PEG 4000, 0.2 M CsCl