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4NTN

E.coli QueD, SeMet protein, 2A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyCCD
Collection date2009-04-18
DetectorADSC QUANTUM 315
Wavelength(s)0.98
Spacegroup nameI 2 2 2
Unit cell lengths107.080, 111.760, 161.440
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution55.800 - 1.990
R-factor0.2041
Rwork0.203
R-free0.22219
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.145
Data reduction softwareCrystal (Clear)
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.8002.100
High resolution limit [Å]1.9901.990
Rmerge0.0720.553
Number of reflections66142
<I/σ(I)>10.42.2
Completeness [%]100.0100
Redundancy4.94.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.62955% MPD, 50 mM sodium acetate, 40 mM CaCl2, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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