6OSO

The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-11-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	70.940, 70.940, 203.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.604 - 1.750
R-factor	0.1724
Rwork	0.171
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kkx
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.6.04)
Refinement software	PHENIX (1.15.1-3469)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.436	19.604	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.035	0.487
Rmeas	0.083	0.039	0.525
Rpim	0.023	0.011	0.144
Total number of observations	404229	12936	56857
Number of reflections	31527	1125	4472
<I/σ(I)>	18.2	36.6	4.4
Completeness [%]	99.9	97.5	99.8
Redundancy	12.8	11.5	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	297	1.5-2.0 M ammonium sulfate