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3D8G

Crystal structure of Staphylococcal nuclease variant Delta+PHS I72R at cryogenic temperature

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]100
Detector technologyCCD
Collection date2007-06-13
DetectorBRUKER APEX II
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths32.181, 60.425, 73.124
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution1.990 - 1.990
R-factor0.205
Rwork0.200
R-free0.25800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)RCSB entry 1tqo all waters removed b = 20.0 ILE-72 and ILE-92 truncated to ALA
RMSD bond length0.008
RMSD bond angle1.226
Data reduction softwareSAINT
Data scaling softwareSAINT
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.6002.090
High resolution limit [Å]1.9901.990
Rmerge0.0210.097
Number of reflections10279
<I/σ(I)>42.549.87
Completeness [%]99.797.6
Redundancy20.759.35
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP827725% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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