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7H9M

PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13527

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 date2023-07-05
DetectorDECTRIS EIGER2 S 9M
Wavelength(s)0.97918
Spacegroup nameI 2 2 2
Unit cell lengths65.897, 89.439, 100.302
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.550 - 1.490
R-factor0.1685
Rwork0.168
R-free0.18000
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.004
RMSD bond angle0.737
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]66.75066.7501.570
High resolution limit [Å]1.4904.7001.490
Rmerge0.0430.0260.470
Rmeas0.0450.0280.503
Rpim0.0130.0080.171
Total number of observations5459401977937240
Number of reflections4586916664706
<I/σ(I)>30.982.13.3
Completeness [%]93.699.467
Redundancy11.911.97.9
CC(1/2)1.0000.9990.897
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5277100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2

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