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9N98

Main Protease of HKU4 in complex with AVI-8122

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-1
Synchrotron siteSSRL
BeamlineBL12-1
Temperature [K]93.15
Detector technologyPIXEL
Collection date2024-07-28
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.979
Spacegroup nameP 1
Unit cell lengths47.880, 58.080, 64.870
Unit cell angles111.21, 99.57, 109.92
Refinement procedure
Resolution33.100 - 2.050
R-factor0.2083
Rwork0.206
R-free0.24230
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.639
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHENIX
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]33.1002.120
High resolution limit [Å]2.0502.050
Number of reflections358923524
<I/σ(I)>9.24
Completeness [%]98.997.67
Redundancy6.96.6
CC(1/2)0.8570.761
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4291.150.2 M Sodium malonate pH 4.0, 20% w/v Polyethylene glycol 3,350

250059

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