1A5S

CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	277
Detector technology	IMAGE PLATE AREA DETECTOR
Collection date	1995-11
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	182.700, 60.800, 67.500
Unit cell angles	90.00, 94.60, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.177
Rwork	0.177
R-free	0.24700
Structure solution method	ISOMORPHOUS WITH PDB ENTRY 1WSY.
Starting model (for MR)	1WSY
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.210
Total number of observations	68449 *
Number of reflections	31198
<I/σ(I)>	13.5	4.2
Completeness [%]	93.8	89.8
Redundancy	2.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8		drop consists of equal volume of enzyme and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	bicine	50 (mM)
3	1	drop	pyridoxal phosphate	0.02 (M)
4	1	reservoir	bicine	50 (mM)
5	1	reservoir	spermine	1-2 (mM)
6	1	reservoir	PEG8000	10 (%)