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3D4D

Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91E at cryogenic temperature

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]110
Detector technologyCCD
Collection date2008-02-06
DetectorBRUKER APEX II
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths31.022, 81.293, 60.385
Unit cell angles90.00, 90.05, 90.00
Refinement procedure
Resolution60.380 - 2.100
R-factor0.239
Rwork0.233
R-free0.29000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3bdc
RMSD bond length0.009
RMSD bond angle1.316
Data reduction softwareSAINT
Data scaling softwareSAINT (V7.51A)
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]60.3802.100
High resolution limit [Å]2.0002.000
Rmerge0.0640.100
Number of reflections17583
<I/σ(I)>38.8415.41
Completeness [%]99.9
Redundancy11.34.85
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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