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8YG7

HSA Copper Indomethacin Complex

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 date2023-01-09
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.987
Spacegroup nameP 1
Unit cell lengths38.347, 92.608, 95.219
Unit cell angles75.02, 89.28, 79.82
Refinement procedure
Resolution91.930 - 2.090
R-factor0.26507
Rwork0.262
R-free0.32452
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.014
RMSD bond angle1.724
Data reduction softwareHKL-3000 (7.21)
Data scaling softwareHKL-3000 (7.21)
Phasing softwarePHASER (2.7.0)
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]91.9302.118
High resolution limit [Å]2.0902.090
Rmerge0.0510.030
Number of reflections683292644
<I/σ(I)>14.3
Completeness [%]97.5
Redundancy3.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION293PEG3350, 50 mM potassium phosphate (pH 7.5), 5% glycerol, 4% DMSO

246031

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