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5WA8

Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2017-02-19
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.000
Spacegroup nameC 1 2 1
Unit cell lengths78.411, 45.988, 64.209
Unit cell angles90.00, 94.77, 90.00
Refinement procedure
Resolution34.349 - 1.300
R-factor0.1552
Rwork0.154
R-free0.16960
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3tw2
RMSD bond length0.006
RMSD bond angle0.942
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]39.63339.6331.304
High resolution limit [Å]1.3006.0271.300
Rmeas0.0600.0350.357
Rpim0.0330.0190.190
Total number of observations179269
Number of reflections536521673
<I/σ(I)>16.1
Completeness [%]95.695.487.9
Redundancy3.33.33.4
CC(1/2)0.9970.9980.905
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293100 mM MES, 38% PEG 8000

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