1QOP

CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH INDOLE PROPANOL PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	182.200, 60.300, 67.400
Unit cell angles	90.00, 94.70, 90.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.15 *
Rwork	0.150
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wsy
RMSD bond length	0.008
RMSD bond angle	0.023
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.300	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.057 *	0.258 *
Total number of observations	294137 *
Number of reflections	133934
<I/σ(I)>	10.25	2.36
Completeness [%]	93.2	80.8
Redundancy	2.2	1.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8		ENZYME SOLUTION: 10 MG/ML TRPS IN 50 MM BICINE PH 7.8, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 20 MUM PYRIDOXAL-5'-PHOSPHATE. RESERVOIR SOLUTION: 50 MM BICINE PH 7.8, 5 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.1 MM PYRIDOXAL-5'-PHOSPHATE, 2 MM SPERMINE, 8-12 % PEG 8000. HANGING DROP GEOMETRY, CRYSTALLIZATION DROP CONSISTED AN INITIAL INDOLE PROPANOLE PHOSPHATE (IPL) CONCENTRATION OF 7 MM

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		2 (mM)
12	1	reservoir	PEG8000	8-12 (%(w/v))
2	1	drop	Bicine	50 (mM)
3	1	drop	Na EDTA	10 (mM)
4	1	drop	di-thioerythritol	1 (mM)
5	1	drop	PLP	0.020 (mM)
6	1	reservoir	Bicine	50 (mM)
7	1	reservoir	di-thioerythritol	5 (mM)
8	1	reservoir	Na EDTA	5 (mM)
9	1	reservoir	PLP	0.1 (mM)