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2QDW

Structure of Cu(I) form of the M51A mutant of amicyanin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]100
Detector technologyCCD
Collection date2005-08-08
DetectorADSC QUANTUM 315
Wavelength(s)0.90000
Spacegroup nameP 1 21 1
Unit cell lengths28.210, 55.360, 27.270
Unit cell angles90.00, 95.75, 90.00
Refinement procedure
Resolution30.000 - 0.920
R-factor0.122
Rwork0.121
R-free0.14690
Structure solution methodAB INITIO
Starting model (for MR)pdb code 1AAC
RMSD bond length0.018
RMSD bond angle0.039
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHELX
Refinement softwareSHELX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0000.940
High resolution limit [Å]0.9200.920
Rmerge0.0810.259
Number of reflections52498
<I/σ(I)>124.8
Completeness [%]92.245.3
Redundancy7.13.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION5.52932.5-3.0 M phosphate 10 mg/ml amicyanin, pH 5.5, EVAPORATION, temperature 293K

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