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7YY7

Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I24
Synchrotron siteDiamond
BeamlineI24
Temperature [K]100
Detector technologyPIXEL
Collection date2016-08-10
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9686
Spacegroup nameC 2 2 21
Unit cell lengths75.712, 124.878, 119.177
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution59.588 - 1.538
R-factor0.2047
Rwork0.204
R-free0.22360
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5o06
RMSD bond length0.006
RMSD bond angle0.984
Data reduction softwareXDS
Data scaling softwareAimless (0.5.26)
Phasing softwarePHASER (2.5.7)
Refinement softwarePHENIX (1.9)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]119.180119.1801.620
High resolution limit [Å]1.5384.8601.540
Rmerge0.1590.1111.300
Rmeas0.1710.1201.395
Rpim0.0610.0440.502
Total number of observations2010693036
Number of reflections83846284512165
<I/σ(I)>9.118.12.3
Completeness [%]100.099.9100
Redundancy7.77.17.6
CC(1/2)0.9950.9920.562
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2920.2 M Sodium bromide, 20-24 % PEG3350, 0.1 M Bis-Tris propane pH 6.5

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PDB entries from 2024-11-06

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