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8QW2

Human NDPK-C in complex with UDP and Mg2+

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-09-09
DetectorDECTRIS EIGER2 X CdTe 16M
Wavelength(s)0.6888
Spacegroup nameC 1 2 1
Unit cell lengths106.532, 115.991, 83.842
Unit cell angles90.00, 93.28, 90.00
Refinement procedure
Resolution47.717 - 1.870
Rwork0.170
R-free0.20260
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.009
RMSD bond angle1.618
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.7171.940
High resolution limit [Å]1.8701.870
Rmerge0.0421.187
Rmeas0.0471.331
Rpim0.0200.592
Number of reflections836898175
<I/σ(I)>151.1
Completeness [%]99.999.5
Redundancy5.24.9
CC(1/2)0.9970.697
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION29127% glycerol, 7% PEG 8000, 40 mM KH2PO4

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