6XNC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	182.289, 57.529, 67.266
Unit cell angles	90.00, 94.83, 90.00

Refinement procedure

Resolution	34.520 - 2.110
R-factor	0.1653
Rwork	0.163
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2TYS.pdb
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.520	2.185
High resolution limit [Å]	2.110	2.110
Rmerge	0.102	0.438
Rmeas	0.122	0.575
Number of reflections	37470	2186
<I/σ(I)>	9.98	1.73
Completeness [%]	92.2
Redundancy	3.2
CC(1/2)	0.995	0.800

Crystallization Conditions

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