8EZC

X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-27
Detector	RAYONIX MX-300
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	184.549, 58.820, 67.290
Unit cell angles	90.00, 94.81, 90.00

Refinement procedure

Resolution	36.841 - 1.600
R-factor	0.1953
Rwork	0.195
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bks
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.102
Rpim		0.631
Number of reflections	94632	13710
<I/σ(I)>	9.3
Completeness [%]	99.7
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.8	295	50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6-8% PEG 8000