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9CSI

A. baumannii MsbA Bound to Cerastecin Compound 5

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2019-10-26
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameI 2 2 2
Unit cell lengths70.277, 83.157, 338.094
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.380 - 2.800
R-factor0.206
Rwork0.204
R-free0.25200
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.220
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.0002.950
High resolution limit [Å]2.8002.800
Number of reflections249993587
<I/σ(I)>6.3
Completeness [%]99.9
Redundancy6.8
CC(1/2)0.9970.386
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIPIDIC CUBIC PHASE2930.11M ADA pH 6.5-6.7, 0.22M Potassium nitrate, 0.022M Magnesium chloride, 39.6-51.7% PEG400, 1mM TCEP

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