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4WRD

Crystal structure of Staphylcoccal nulease variant Delta+PHS V66E L125E at cryogenic temperature

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]110
Detector technologyCCD
Collection date2014-08-04
DetectorAPEX II CCD
Wavelength(s)1.54
Spacegroup nameP 1 21 1
Unit cell lengths31.140, 60.315, 38.364
Unit cell angles90.00, 94.05, 90.00
Refinement procedure
Resolution38.270 - 1.650
R-factor0.1842
Rwork0.182
R-free0.22000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3bdc
RMSD bond length0.017
RMSD bond angle1.620
Data reduction softwareSAINT (2013/3 for Windows)
Data scaling softwareSAINT
Phasing softwarePHASER (2.5.5)
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.2701.670
High resolution limit [Å]1.6501.650
Rmerge0.0100.140
Total number of observations477720
Number of reflections17155
<I/σ(I)>142.686.63
Completeness [%]99.997.6
Redundancy27.818.71
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP627720% MPD, 25mM potassium phosphate, calcium chloride, pdTp

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