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3CAG

Crystal structure of the oligomerization domain hexamer of the arginine repressor protein from Mycobacterium tuberculosis in complex with 9 arginines.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyCCD
Collection date2007-05-25
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.10552
Spacegroup nameP 21 21 21
Unit cell lengths57.745, 75.648, 108.022
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.260 - 1.900
R-factor0.17083
Rwork0.168
R-free0.22414
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2zfz
RMSD bond length0.015
RMSD bond angle1.483
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.1320.422
Number of reflections36125
<I/σ(I)>15.74.2
Completeness [%]95.684.6
Redundancy6.96.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729512% PEG 10000, 0.1M Hepes pH 7.0, 0.2M L-arginine, 10% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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