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3QQD

Human SOD1 H80R variant, P212121 crystal form

Replaces:  3H2R
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.1
Synchrotron siteALS
Beamline8.2.1
Temperature [K]100
Detector technologyCCD
Collection date2004-11-22
DetectorADSC QUANTUM 210
Wavelength(s)1.282
Spacegroup nameP 21 21 21
Unit cell lengths40.245, 58.427, 104.825
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.015 - 1.653
R-factor0.1466
Rwork0.144
R-free0.18330
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1azv
RMSD bond length0.005
RMSD bond angle0.913
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwarePHENIX ((phenix.refine: 1.7_650))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.710
High resolution limit [Å]1.6501.650
Number of reflections30227
<I/σ(I)>23.25.5
Completeness [%]99.999.5
Redundancy7.26.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82.3 M AMMONIUM SULFATE, 0.1 M TRIS, TEMPERATURE 298K, pH 8.0, VAPOR DIFFUSION, HANGING DROP

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