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3E5S

Crystal structure of Staphylococcal nuclease variant Delta+PHS L103K at cryogenic temperature

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]100
Detector technologyCCD
Collection date2007-07-31
DetectorAPEX II CCD
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths31.172, 78.514, 60.949
Unit cell angles90.00, 90.04, 90.00
Refinement procedure
Resolution? - 2.000
R-factor0.167
Rwork0.164
R-free0.22400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3BDC.PDB
RMSD bond length0.006
RMSD bond angle1.477
Data reduction softwareSAINT
Data scaling softwareSAINT
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]60.9501.960
High resolution limit [Å]1.8591.859
Rmerge0.0660.322
Number of reflections24052
<I/σ(I)>15.72.48
Completeness [%]97.691.1
Redundancy4.922.19
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729835% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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