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1EZL

CRYSTAL STRUCTURE OF THE DISULPHIDE BOND-DEFICIENT AZURIN MUTANT C3A/C26A: HOW IMPORTANT IS THE S-S BOND FOR FOLDING AND STABILITY?

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]295
Detector technologyDIFFRACTOMETER
Collection date1998-01-01
DetectorSIEMENS P4
Spacegroup nameP 21 21 21
Unit cell lengths57.400, 80.400, 110.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.000
Rwork0.189
R-free0.25600
RMSD bond length0.015
RMSD bond angle1.970
Data reduction softwareSMART
Data scaling softwareSAINT
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]8.0008.000
High resolution limit [Å]2.0002.000
Rmerge0.0830.083
Total number of observations255491

*

Number of reflections39662
Completeness [%]93.093
Redundancy6.46.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.7295ammonium sulphate, lithium nitrate, acetate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirammonium sulfate3.4 (M)
21reservoirlithium nitrate0.5 (M)
31reservoiracetate0.1 (M)

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