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1SYN

E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)

Experimental procedure
Detector technologyIMAGE PLATE
Collection date1995-05-21
DetectorRIGAKU
Wavelength(s)1.5418
Spacegroup nameP 63
Unit cell lengths127.346, 127.346, 68.164
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution6.000 - 2.000
R-factor0.197

*

Rwork0.196
R-free0.25800
RMSD bond length0.013
RMSD bond angle2.760

*

Data reduction softwareHKL ((DENZO))
Data scaling softwareHKL ((SCALEPACK))
Phasing softwareX-PLOR (3.1)
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]2.000
Rmerge0.124
Total number of observations213321

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Number of reflections42720

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Completeness [%]82.4
Redundancy3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7.8

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropE. coli TS4.2 (mg/ml)
21dropdUMP0.38 (mM)
31dropBW1843U891.0 (mM)
41dropdithiothreitol3.8 (mM)
51dropammonium sulfate1.2 (M)pH7.8
61droppotassium phosphate20 (mM)used to stabilized the pH
71reservoirammonium sulfate2.4 (M)
81reservoirdithiothreitol1.0 (mM)

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