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2YVA

Crystal structure of Escherichia coli DiaA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44B2
Synchrotron siteSPring-8
BeamlineBL44B2
Temperature [K]100
Detector technologyCCD
Collection date2005-04-13
DetectorADSC QUANTUM 210
Wavelength(s)1.000
Spacegroup nameC 1 2 1
Unit cell lengths71.357, 81.210, 67.409
Unit cell angles90.00, 115.33, 90.00
Refinement procedure
Resolution50.000 - 1.850
R-factor0.183
Rwork0.183
R-free0.21400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1x92 crystal structure of Pseudomonas aeruginosa Phosphoheptose isomerase
RMSD bond length0.006
RMSD bond angle1.240
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.920
High resolution limit [Å]1.8501.850
Rmerge0.0420.172
Number of reflections29746
<I/σ(I)>18.58
Completeness [%]99.999.9
Redundancy43.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.4293PEG4000, Dioxane, citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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