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4H2S

Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and AMP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2011-02-26
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.0051
Spacegroup nameP 21 21 21
Unit cell lengths92.046, 101.677, 103.981
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.290 - 2.150
R-factor0.1723
Rwork0.171
R-free0.20650
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3mf2
RMSD bond length0.008
RMSD bond angle1.047
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareEPMR
Refinement softwarePHENIX (dev_1116)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]46.29046.2902.280
High resolution limit [Å]2.1506.3902.150
Rmerge0.0750.0190.528
Number of reflections5384322178563
<I/σ(I)>22.9171.744.2
Completeness [%]99.999.799.7
Redundancy7.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529125.5% PEG 8000, 0.17M ammonium sulfate, 0.085 M sodium cacodylate pH 6.5, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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