6XOY

Salmonella typhimurium tryptophan synthase complexed with D-tryptophan and D-glycerol-3-phosphate

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	2019-10-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	184.450, 57.720, 67.270
Unit cell angles	90.00, 95.47, 90.00

Refinement procedure

Resolution	36.670 - 1.640
R-factor	0.1778
Rwork	0.177
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2TSY.pdb
RMSD bond length	0.014
RMSD bond angle	1.153
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.670	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.109	2.020
Rmeas	0.130	2.393
Number of reflections	83399	8135
<I/σ(I)>	6.68	0.63
Completeness [%]	93.3
Redundancy	3.4
CC(1/2)	0.995	0.218

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	0.05 M Bicine-Na, pH 7.8, 5 mM Na2EDTA, 0.1 mM PLP, 1 mM DTT, 1 mM spermine tetrahydrochloride, 10-12% PEG 3350, 6-10% glycerol