1KFC

CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	0.8345
Spacegroup name	C 1 2 1
Unit cell lengths	181.419, 60.343, 66.991
Unit cell angles	90.00, 94.56, 90.00

Refinement procedure

Resolution	20.000 * - 1.500
R-factor	0.195
Rwork	0.195
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qop
RMSD bond length	0.014
RMSD bond angle	22.600 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.300	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.054 *	0.310 *
Total number of observations	312863 *
Number of reflections	122217
Completeness [%]	95.6	91.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	296	PEG 8000, EDTA, SPERMINE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
10	1	reservoir	spermine	2 (mM)
11	1	reservoir	PEG8000	8-12 (%(w/v))
2	1	drop	Na+-bicine	50 (mM)	pH7.8
3	1	drop	Na+-EDTA	10 (mM)
4	1	drop	dithioerythritol	1 (mM)
5	1	drop	PLP	20000 (nM)
6	1	reservoir	Na+-bicine	50 (mM)	pH7.8
7	1	reservoir	dithioerythritol	5 (mM)
8	1	reservoir	Na+-EDTA	5 (mM)
9	1	reservoir	PLP	0.1 (mM)