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3GEO

SULFITE REDUCTASE HEMOPROTEIN NITRITE COMPLEX

Experimental procedure
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]277
Detector technologyIMAGE PLATE
Collection date1995-03-09
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths69.800, 77.400, 87.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 2.100
R-factor0.185
Rwork0.185
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1aop
RMSD bond length0.010
RMSD bond angle1.600
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.1)
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.200
High resolution limit [Å]2.1002.100
Rmerge0.078

*

0.291

*

Number of reflections28149
<I/σ(I)>16.44.2
Completeness [%]98.998.6

*

Redundancy4.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

*

7.7pH 7.7
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein6 (mg/ml)
21reservoirpotassium phosphate65 (mM)
31reservoirEDTA0.1 (M)
41reservoirPEGMW800015 (%)

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