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7HAK

PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-6793

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL02U1
Synchrotron siteSSRF
BeamlineBL02U1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-07-04
DetectorDECTRIS EIGER2 S 9M
Wavelength(s)0.97918
Spacegroup nameI 2 2 2
Unit cell lengths67.820, 91.170, 99.040
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution33.540 - 1.720
R-factor0.1915
Rwork0.190
R-free0.21570
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.005
RMSD bond angle0.785
Data reduction softwareXDS
Data scaling softwareAimless (0.7.7)
Phasing softwareDIMPLE
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]33.54033.5401.760
High resolution limit [Å]1.7207.6901.720
Rmerge0.1000.0281.328
Rmeas0.1050.0301.388
Rpim0.0290.0090.401
Total number of observations417596467627792
Number of reflections324324162378
<I/σ(I)>18.854.62.3
Completeness [%]98.498.2100
Redundancy12.911.211.7
CC(1/2)0.9990.9990.783
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5277100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2

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