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2A7S

Crystal Structure of the Acyl-CoA Carboxylase, AccD5, from Mycobacterium tuberculosis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyCCD
Collection date2004-04-25
DetectorADSC QUANTUM 315
Spacegroup nameP 41 21 2
Unit cell lengths175.252, 175.252, 342.999
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.880 - 2.900
R-factor0.193
Rwork0.193
R-free0.24500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)ACYL-COA CARBOXYLASE FROM STREPTOMYCES COELICOLOR PCCB
RMSD bond length2.462
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.950
High resolution limit [Å]2.8002.900
Rmerge0.1580.450
Number of reflections118668
<I/σ(I)>72.2
Completeness [%]100.0100
Redundancy76.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.62980.1 M sodium citrate pH 5.6, 0.2 M ammonium acetate, 15% PEG 4K, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 5.60

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