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5CV4

Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/V66H at cryogenic temperature

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]110
Detector technologyCCD
Collection date2015-01-28
DetectorAPEX II CCD
Wavelength(s)1.54
Spacegroup nameP 1 21 1
Unit cell lengths31.105, 60.691, 38.414
Unit cell angles90.00, 93.58, 90.00
Refinement procedure
Resolution38.340 - 1.800
R-factor0.199
Rwork0.197
R-free0.23160
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3bdc
RMSD bond length0.015
RMSD bond angle1.769
Data reduction softwareAPEX
Data scaling softwareAPEX (2013/3 for Windows)
Phasing softwarePHASER (2.5.7)
Refinement softwareREFMAC (5.8.0124)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.830
High resolution limit [Å]1.8001.800
Rmerge0.0240.156
Total number of observations165622
Number of reflections13299
<I/σ(I)>28.435.84
Completeness [%]100.099.8
Redundancy11.466.05
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP727720% MPD, 25 mM potassium phosphate, calcium chloride, pdTp

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