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9F19

Human USP30 chimera in complex with NK036 inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE MASSIF-3
Synchrotron siteESRF
BeamlineMASSIF-3
Temperature [K]100
Detector technologyPIXEL
Collection date2023-11-16
DetectorDECTRIS EIGER X 4M
Wavelength(s)0.9677
Spacegroup nameP 21 2 21
Unit cell lengths55.833, 73.835, 201.053
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution59.510 - 2.750
R-factor0.2229
Rwork0.218
R-free0.26610
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.091
Data reduction softwarexia2 (3.16.0)
Data scaling softwareSTARANISO (3.350)
Phasing softwarePHASER (2.8.3)
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]59.5203.230
High resolution limit [Å]2.7502.750
Rmerge0.1661.536
Number of reflections154382202
<I/σ(I)>9.61.9
Completeness [%]91.969
Redundancy13.913.9
CC(1/2)0.9980.730
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
3VAPOR DIFFUSION, SITTING DROP29388 mM NaOH, 100 mM Bicine, 11% (w/v) PEG 20,000, 1% (v/v) Dioxane, 10 mM Sarcosine (Crystal 3)

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