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1OV8

Auracyanin B structure in space group, P65

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2002-03-01
DetectorMARRESEARCH
Wavelength(s)1.08
Spacegroup nameP 65
Unit cell lengths115.885, 115.885, 108.149
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution26.130 - 1.900
R-factor0.19327
Rwork0.192
R-free0.21900

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qhq
RMSD bond length0.010

*

RMSD bond angle1.580

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.0590.469
Total number of observations458718

*

Number of reflections63349

*

<I/σ(I)>16.92.5
Completeness [%]97.7

*

96.8
Redundancy2.72.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52772.25 M Lithium sulfate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein9 (mg/ml)
21reservoirHEPES0.1 (M)pH7.5
31reservoir2.25 (M)

226707

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