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3QM6

Blackfin tuna deoxy-myoglobin, atomic resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2006-06-06
DetectorMAR CCD 165 mm
Wavelength(s)0.92
Spacegroup nameP 1 21 1
Unit cell lengths34.235, 52.158, 38.451
Unit cell angles90.00, 104.59, 90.00
Refinement procedure
Resolution15.400 - 0.910
R-factor0.13402
Rwork0.133
R-free0.14453
Structure solution methodRIGID BODY refinement
Starting model (for MR)2nrl
RMSD bond length0.030
RMSD bond angle2.476
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.4000.933
High resolution limit [Å]0.9100.910
Rmerge0.0550.470
Number of reflections83857
<I/σ(I)>30.092.49
Completeness [%]94.383.53
Redundancy5.74.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.62930.2 M potassium/sodium tartrate, 0.1 M sodium citrate, 2.0 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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