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1QOQ

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

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12C
Synchrotron siteNSLS
BeamlineX12C
Temperature [K]100
Detector technologyCCD
Collection date1998-11-15
DetectorADSC CCD
Spacegroup nameC 1 2 1
Unit cell lengths182.742, 60.055, 67.098
Unit cell angles90.00, 94.48, 90.00
Refinement procedure
Resolution20.000 - 1.800
R-factor0.171

*

Rwork0.171
R-free0.21000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qop
RMSD bond length0.017
RMSD bond angle0.033
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareCNS
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]31.2001.900
High resolution limit [Å]1.8001.800
Rmerge0.076

*

0.209

*

Total number of observations219018

*

Number of reflections63674
<I/σ(I)>11.72.6
Completeness [%]94.570.8
Redundancy3.491.57
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.8ENZYME 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 IN CONTRAST TO WHAT HAS BEEN IMPLICATED IN THE PUBLICATION ASSOCIATED WITH THIS PDB-ENTRY (WEYAND & SCHLICHTING, BIOCHEMISTRY 38: 16469-16480, (1999)), THE PH OF THE COMPLEX WAS NOT NEUTRAL BUT 5.0-5.2. THEREFORE, THE STRUCTURE WAS RE-DETERMINED AT PH 7.0 (PDB CODE 2RHG) AND ALSO AT PH 9.0 (PDB CODE 2RH9). THIS DATA SHOWS THAT CLOSURE OF LOOP ALPHA-L6 IS CAUSED BY THE LOW PH AND NOT BY BINDING OF IGP
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
101reservoirspermine2 (mM)
111reservoir2 (mM)
121reservoirPEG80008-12 (%(w/v))
21dropBicine50 (mM)
31dropNa EDTA10 (mM)
41dropdi-thioerythritol1 (mM)
51dropPLP0.020 (mM)
61reservoirBicine50 (mM)
71reservoirdi-thioerythritol5 (mM)
81reservoirNa EDTA5 (mM)
91reservoirPLP0.1 (mM)

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