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9S1O

Crystal structure of DNPH1 bound by compound 18

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2023-08-08
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.95373
Spacegroup nameP 6 2 2
Unit cell lengths149.345, 149.345, 53.965
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.340 - 1.768
R-factor0.2366
Rwork0.235
R-free0.25840
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.870
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]129.3371.988
High resolution limit [Å]1.7681.768
Number of reflections225121126
<I/σ(I)>18.5
Completeness [%]95.7
Redundancy19.7
CC(1/2)0.9990.837
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2931.6 ammonium sulfate, 10 % dioxane, 0.1 M Mes pH 6.5

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