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1DNL

X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH FMN AT 1.8 ANGSTROM RESOLUTION

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date1999-01-01
DetectorAPS
Spacegroup nameP 31 2 1
Unit cell lengths63.710, 63.710, 125.250
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution55.000 - 1.800
R-factor0.212
Rwork0.210
R-free0.23300
RMSD bond length0.010
RMSD bond angle23.300

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Data scaling softwareSCALEPACK
Phasing softwareMLPHARE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.0001.860
High resolution limit [Å]1.8001.800
Rmerge0.0750.357
Total number of observations262844

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Number of reflections26980
<I/σ(I)>7.6
Completeness [%]96.374.2
Redundancy9.75
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5

*

22

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AMMONIUM FORMATE, HEPES OR MES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein4 (mg/ml)
21dropammonium formate0.65-0.9 (M)
31drop2-mercaptoethanol2.5 (mM)
41droppotassium phosphate50 (mM)
51dropHEPES/NaOH50 (mM)
61reservoirammonium formate1.3-1.8 (M)
71reservoirHEPES/NaOH100 (mM)

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數據於2024-03-27公開中

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