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1C96

S642A:CITRATE COMPLEX OF ACONITASE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1999-04-23
DetectorMARRESEARCH
Spacegroup nameP 21 21 2
Unit cell lengths176.100, 71.400, 71.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.810
R-factor0.211

*

Rwork0.225
R-free0.25100

*

RMSD bond length0.019
RMSD bond angle3.490
Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((AGROVATA)
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.860
High resolution limit [Å]1.8101.810
Rmerge0.0710.372
Total number of observations285614

*

Number of reflections82013

*

<I/σ(I)>5.5
Completeness [%]99.088.1
Redundancy3.52.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION726

*

2.6 M AMMONIUM SULFATE 0.35 M SODIUM CHLORIDE 0.25 M BIS-TRIS, pH 7.0, VAPOR DIFFUSION, temperature 295K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein16-18 (mg/ml)
21dropammonium sulfate
31dropBis-Tris-HCl0.25 (M)
41drop0.35 (M)
51reservoirammonium sulfate2.2-2.4 (M)
61reservoirbis-Tris-HCl0.25 (M)
71reservoir0.35 (M)

217705

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