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3GCN

Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with OMP peptide (YQF)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-10-01
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 3
Unit cell lengths119.030, 119.030, 119.030
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.869 - 3.002
R-factor0.215
Rwork0.213
R-free0.24900
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle0.670
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0003.110
High resolution limit [Å]3.0006.4603.000
Rmerge0.1340.053
Number of reflections11504
<I/σ(I)>34.362
Completeness [%]99.998.9100
Redundancy40.640.937.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52983% PEG 3350, 100 mM Bis-Tris propane, 50 mM NaF, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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