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4HKG

Crystal Structure of Free-Standing Peptidyl Carrier Protein from Uncharacterized Acinetobacter baumannii Secondary Metabolic Pathway

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyCCD
Collection date2012-01-14
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.9795
Spacegroup nameP 65
Unit cell lengths61.811, 61.811, 76.848
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution31.215 - 1.300
R-factor0.1501
Rwork0.149
R-free0.16750
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2afd model 1
RMSD bond length0.005
RMSD bond angle1.000
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.4.1)
Refinement softwarePHENIX (1.8.1_1168)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.320
High resolution limit [Å]1.3003.5301.300
Rmerge0.0600.0310.572
Number of reflections40576
<I/σ(I)>19.3
Completeness [%]99.199.193.4
Redundancy10.38.58
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP927725% PEG400, 5% MPD, 50 mM CHES (pH 9), VAPOR DIFFUSION, HANGING DROP, temperature 277K

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