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5MX7

1a,20S-dihydroxyvitamin D3 VDR complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2016-05-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 65 2 2
Unit cell lengths65.936, 65.936, 262.970
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution47.846 - 1.980
R-factor0.2013
Rwork0.200
R-free0.22490
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2hc4
RMSD bond length0.003
RMSD bond angle0.618
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.8502.050
High resolution limit [Å]1.9801.980
Number of reflections24360
<I/σ(I)>14.922.32
Completeness [%]98.0100
Redundancy22
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP295BisTris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate

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