9BNJ

Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-03
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	113.945, 118.225, 152.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.270 - 1.510
R-factor	0.1588
Rwork	0.158
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.789
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.270	1.530
High resolution limit [Å]	1.510	1.510
Number of reflections	319496	20571
<I/σ(I)>	7.2
Completeness [%]	99.4
Redundancy	5.4
CC(1/2)	0.998	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M potassium phosphate, pH 8.0, 1 mM DTT, 0.1 mM PLP, 0.2 M KCl, 22% PEG 4000