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4B8Y

Ferrichrome-bound FhuD2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.3
Synchrotron siteALS
Beamline5.0.3
Temperature [K]100
Detector technologyCCD
Collection date2010-12-12
DetectorADSC CCD
Spacegroup nameP 1 21 1
Unit cell lengths53.890, 50.140, 54.350
Unit cell angles90.00, 106.44, 90.00
Refinement procedure
Resolution36.137 - 1.900
R-factor0.176
Rwork0.174
R-free0.22340
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3g9q
RMSD bond length0.017
RMSD bond angle1.317
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.000
High resolution limit [Å]1.9001.900
Rmerge0.0900.620
Number of reflections22105
<I/σ(I)>92
Completeness [%]99.999.9
Redundancy3.63.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.520% PEG-2000, 0.01M NICL2, 0.1M TRIS-HCL PH 8.5

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