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1B8R

PARVALBUMIN

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsSIEMENS
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date1996-01
DetectorRIGAKU RAXIS IIC
Spacegroup nameC 1 2 1
Unit cell lengths28.850, 60.590, 54.480
Unit cell angles90.00, 94.97, 90.00
Refinement procedure
Resolution15.000 - 1.900
R-factor0.1768

*

Rwork0.177
R-free0.27000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5cpv AUTH A.L.SWAIN R.H.KRETSINGER E.L.AMMA
RMSD bond length0.012
RMSD bond angle21.660

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 Overall
Low resolution limit [Å]15.000
High resolution limit [Å]1.900
Rmerge0.070
Number of reflections6147
Completeness [%]95.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

74

*

CRYSTALLIZATION CONDITIONS: PH 5.0 - 5.5, 3.1 - 3.2 M AMMONIUM SULFATE 0.05 - 0.10 M CACL2, ROOM TEMPERATURE, pH 7.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoir0.05-0.10 (M)
21reservoirammonium sulfate3.1-3.2 (M)

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