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2C9V

Atomic resolution structure of Cu-Zn Human Superoxide dismutase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX10.1
Synchrotron siteSRS
BeamlinePX10.1
Temperature [K]100
Detector technologyCCD
Collection date2005-09-29
DetectorMARRESEARCH
Spacegroup nameP 1 21 1
Unit cell lengths38.605, 67.368, 52.532
Unit cell angles90.00, 106.54, 90.00
Refinement procedure
Resolution27.000 - 1.070
R-factor0.132
Rwork0.131
R-free0.15800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1hl5
RMSD bond length0.022
RMSD bond angle2.136
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.110
High resolution limit [Å]1.0701.070
Rmerge0.0600.340
Number of reflections110674
<I/σ(I)>172.5
Completeness [%]97.987.4
Redundancy3.72.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
14.753.0M AMMONIUM SULPHATE, 0.1M NACL, 50MM ACETATE BUFFER, pH 4.75

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