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1DAK

DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE

Experimental procedure
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID09
Synchrotron siteESRF
BeamlineID09
Temperature [K]100
Detector technologyCCD
Collection date1997-10
DetectorPRINCETON 2K
Spacegroup nameC 1 2 1
Unit cell lengths72.680, 48.190, 61.070
Unit cell angles90.00, 106.58, 90.00
Refinement procedure
Resolution20.000 - 1.600
R-factor0.184

*

Rwork0.184
R-free0.21000
Structure solution methodDIFFERENCE FOURIER
Starting model (for MR)1dah WITH NON-PROTEIN ATOMS EXCLUDED
RMSD bond length0.006
RMSD bond angle0.020
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCCP4
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0001.660
High resolution limit [Å]1.6001.600
Rmerge0.078

*

0.430

*

Number of reflections86120
<I/σ(I)>162.8
Completeness [%]99.092.4
Redundancy3.22.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

6.5

*

drop contained 0.003ml of protein solution mixed with 0.074ml of well solution.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein30 (mg/ml)
21reservoirsodium cacodylate100 (mM)
31reservoir100 (mM)
41reservoirPEG80009-12 (%)

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