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7HT0

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z28870646

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-10-09
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.92124
Spacegroup nameI 2 2 2
Unit cell lengths98.610, 98.640, 128.780
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.070 - 2.320
R-factor0.2516
Rwork0.249
R-free0.29350
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.930
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.4 (23-JAN-2024))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.3102.380
High resolution limit [Å]2.3202.320
Rmerge0.3475.362
Rmeas0.3615.569
Rpim0.0971.491
Total number of observations37049127148
Number of reflections275131990
<I/σ(I)>5.90.6
Completeness [%]99.9
Redundancy13.513.6
CC(1/2)0.9960.308
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.852930.1M MES pH 6.85, 1.6M Ammonium sulfate

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