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4U89

4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSOLEIL BEAMLINE PROXIMA 1
Synchrotron siteSOLEIL
BeamlinePROXIMA 1
Temperature [K]100
Detector technologyPIXEL
Collection date2012-04-09
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.98011
Spacegroup nameC 2 2 21
Unit cell lengths99.808, 121.263, 48.828
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.320 - 1.400
R-factor0.1398
Rwork0.138
R-free0.16630
Structure solution methodSAD
RMSD bond length0.025
RMSD bond angle2.415
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareSHELX
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.31630.3161.480
High resolution limit [Å]1.4004.1801.400
Rmerge0.0690.0490.514
Rmeas0.0740.0530.570
Total number of observations408859
Number of reflections5856923639261
<I/σ(I)>15.1236.62.73
Completeness [%]99.799.798.5
Redundancy6.98
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP428522% PEG 1000, 0.2 M LiSO4, 0.1 M phosphate-citrate pH 4.0
1VAPOR DIFFUSION, HANGING DROP428522% PEG 1000, 0.2 M LiSO4, 0.1 M phosphate-citrate pH 4.0

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