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3BBE

M. jannaschii Nep1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCCD
Collection date2007-10-09
DetectorNOIR-1
Wavelength(s)1.24
Spacegroup nameP 21 21 21
Unit cell lengths84.470, 91.088, 94.036
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.780 - 2.200
R-factor0.2093
Rwork0.207
R-free0.24610
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3bbd
RMSD bond length0.008
RMSD bond angle1.123
Data reduction softwared*TREK
Data scaling softwared*TREK
Refinement softwarePHENIX ((phenix.refine))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.280
High resolution limit [Å]2.2002.200
Number of reflections37488
<I/σ(I)>11.42.6
Completeness [%]100.0100
Redundancy7.16.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP9.5277100 mM BisTris-propane, 6-10% polyethylene glycol 400, 30-48% glycerol and 0-400 mM trimethylamine-N-oxide, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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