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5RW0

PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z2444997446

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2020-02-21
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9126
Spacegroup nameP 1 21 1
Unit cell lengths78.130, 147.127, 87.273
Unit cell angles90.00, 102.91, 90.00
Refinement procedure
Resolution85.070 - 1.673
R-factor0.1623
Rwork0.161
R-free0.18710
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6sy1
RMSD bond length0.008
RMSD bond angle0.960
Data reduction softwareXDS
Data scaling softwareAimless (0.7.4)
Phasing softwareREFMAC
Refinement softwareBUSTER (2.10.3 (20-MAY-2020))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]85.06785.0671.877
High resolution limit [Å]1.6735.4471.673
Rmeas0.1500.0600.837
Rpim0.0750.0300.451
Total number of observations4894732432520833
Number of reflections1294076471
<I/σ(I)>7.520.51.7
Completeness [%]94.999.772.2
Redundancy3.83.83.2
CC(1/2)0.9950.9970.637
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.12930.1M Hepes, 0.1M Magnesium chloride, 20% PEG 6K, 10% ethylene glycol

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