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1S30

X-ray crystal structure of Desulfovibrio vulgaris Rubrerythrin with displacement of iron by zinc at the diiron Site

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
Collection date2001-12-23
DetectorADSC QUANTUM 210
Wavelength(s)1.7
Spacegroup nameI 2 2 2
Unit cell lengths48.748, 80.261, 99.850
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution22.710 - 2.050
R-factor0.171
Rwork0.171
R-free0.20800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1lkm
RMSD bond length0.005
RMSD bond angle1.000
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.7102.120
High resolution limit [Å]2.0502.050
Rmerge0.0700.112
Number of reflections20177
<I/σ(I)>53.512
Completeness [%]86.139.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.3298PEG 1450, Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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