8V2K

Proteus vulgaris tryptophan indole-lyase complexed with L-alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979493
Spacegroup name	P 1 21 1
Unit cell lengths	66.889, 113.073, 120.332
Unit cell angles	90.00, 98.33, 90.00

Refinement procedure

Resolution	119.060 - 1.810
R-factor	0.1885
Rwork	0.186
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.060	1.875
High resolution limit [Å]	1.810	1.810
Number of reflections	114075	5704
<I/σ(I)>	5
Completeness [%]	93.6
Redundancy	3.5
CC(1/2)	0.991	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.1 M potassium phosphate, pH 8.0, 0.1 mM pyrodoxal-5'-phosphate, 1 mM DTT, 0.2 M CsCl, 22% PEG 4000