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2FT6

Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX10.1
Synchrotron siteSRS
BeamlinePX10.1
Temperature [K]100
Detector technologyCCD
Collection date2005-10-16
DetectorMARRESEARCH
Wavelength(s)1.075
Spacegroup nameP 43 21 2
Unit cell lengths51.788, 51.788, 75.553
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.950 - 1.250
R-factor0.129
Rwork0.127
R-free0.15500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4azu Chain A
RMSD bond length0.018
RMSD bond angle1.748
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.9531.320
High resolution limit [Å]1.2501.250
Rmerge0.0600.291
Total number of observations38274
Number of reflections291764155
<I/σ(I)>5.86.1
Completeness [%]99.9
Redundancy109.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP62930.1MM MES, 20% PEG6000, 0.2M LiCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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