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2DSX

Crystal structure of rubredoxin from Desulfovibrio gigas to ultra-high 0.68 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL12B2
Synchrotron siteSPring-8
BeamlineBL12B2
Temperature [K]110
Detector technologyCCD
Collection date2003-05-20
DetectorADSC QUANTUM 4
Wavelength(s)0.689
Spacegroup nameP 1 21 1
Unit cell lengths19.474, 41.324, 24.129
Unit cell angles90.00, 108.20, 90.00
Refinement procedure
Resolution10.000 - 0.680
R-factor0.0991
Rwork0.099
R-free0.11070
Structure solution methodSAD
RMSD bond length0.006
RMSD bond angle1.427
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSOLVE
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]10.0000.750
High resolution limit [Å]0.6800.680
Rmerge0.0730.261
Number of reflections52365
<I/σ(I)>24.23.6
Completeness [%]92.657.1
Redundancy16.67.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.62964.2M ammonium sulfate, 0.1M citrite, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K

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