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9MTW

Crystal structure of ADC-1-ertapenem complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyPIXEL
Collection date2023-11-21
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97946
Spacegroup nameP 1 21 1
Unit cell lengths42.994, 183.065, 50.451
Unit cell angles90.00, 98.48, 90.00
Refinement procedure
Resolution38.630 - 1.600
R-factor0.1837
Rwork0.182
R-free0.20690
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.006
RMSD bond angle0.982
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwarePHENIX (1.21.2_5419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.6301.630
High resolution limit [Å]1.6001.600
Rmeas0.080
Rpim0.0390.577
Number of reflections996664852
<I/σ(I)>9.81.3
Completeness [%]98.6
Redundancy4
CC(1/2)0.9970.491
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.2 M lithium chloride, 20% PEG 3350

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