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4OIO

Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X25
Synchrotron siteNSLS
BeamlineX25
Temperature [K]100
Detector technologyPIXEL
Collection date2011-10-04
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.1
Spacegroup nameC 1 2 1
Unit cell lengths184.110, 103.780, 296.090
Unit cell angles90.00, 98.86, 90.00
Refinement procedure
Resolution48.919 - 3.100
R-factor0.2061
Rwork0.205
R-free0.25550
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4g7h
RMSD bond length0.004
RMSD bond angle0.827
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwarePHENIX ((phenix.refine: 1.8_1069))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.150
High resolution limit [Å]3.1003.100
Rmerge0.1461.000
Number of reflections100364
<I/σ(I)>11.31.5
Completeness [%]100.099.9
Redundancy6.35.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.4295100 mM Tris-HCl, pH 8.4, 200 mM potassium chloride, 50 mM magnesium chloride, 9.5% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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