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4M5R

High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]100
Detector technologyCCD
Collection date2010-12-02
DetectorADSC QUANTUM 270
Wavelength(s)0.917
Spacegroup nameC 2 2 21
Unit cell lengths87.246, 102.978, 66.226
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.943 - 1.400
R-factor0.1618
Rwork0.161
R-free0.18420
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.127
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX (1.8.2_1309)
Refinement softwarePHENIX ((phenix.refine: 1.8.2_1309))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.430
High resolution limit [Å]1.4001.400
Rmerge0.0840.677
Number of reflections65059
<I/σ(I)>26.41.66
Completeness [%]99.197.3
Redundancy6.63.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.3293200 MM MES, 27% PEG8K, 200 MM AMMONIUM SULFATE, 1 MM MANGANESE CHLORIDE, 10 MM MAGNESIUM ACETATE, 10 MM TAURINE, AND 50 MM SODIUM FLUORIDE, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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