1FUY

CRYSTAL STRUCTURE OF BETAA169L/BETAC170W DOUBLE MUTANT OF TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUORO-INDOLE-PROPANOL PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	275
Detector technology	IMAGE PLATE
Collection date	1994-11-12
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	184.000, 60.700, 67.400
Unit cell angles	90.00, 95.75, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.17 *
Rwork	0.170
R-free	0.22400
RMSD bond length	0.017 *
RMSD bond angle	2.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.210
High resolution limit [Å]	2.250 *	2.250 *
Rmerge	0.042 *	0.199 *
Total number of observations	68906 *
Number of reflections	32603 *
Completeness [%]	91.3 *	92.4 *
Redundancy		1.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	25 *	Ahmed, S.A., (1985) J. Biol. Chem., 260, 3716. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	12 (%)
3	1	reservoir	spermine	2 (mM)