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4F6A

High-resolution x-ray Structure of the tetramutant of BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4C
Synchrotron siteNSLS
BeamlineX4C
Temperature [K]100
Detector technologyCCD
Collection date2012-04-05
DetectorMAR CCD 165 mm
Wavelength(s)0.97907
Spacegroup nameP 31 2 1
Unit cell lengths86.842, 86.842, 163.818
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution34.174 - 2.009
R-factor0.1928
Rwork0.191
R-free0.21970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4e0a
RMSD bond length0.008
RMSD bond angle1.002
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareBALBES
Refinement softwarePHENIX (dev_988)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]2.000
Rmerge0.072
Number of reflections46521
<I/σ(I)>33.1
Completeness [%]92.6
Redundancy4.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP9277Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M KSCN, 0.1M TAPS, 20% PEG 4K, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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