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3SDN

Structure of G65I sperm whale myoglobin mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2010-06
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.00000
Spacegroup nameP 21 21 21
Unit cell lengths40.036, 48.011, 77.557
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.820 - 1.500
R-factor0.18011
Rwork0.177
R-free0.23823
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3OCK
RMSD bond length0.024
RMSD bond angle2.030
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 Overall
Low resolution limit [Å]44.000
High resolution limit [Å]1.500
Rmerge0.074
Number of reflections24768
Completeness [%]87.3
Redundancy2.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.528334% PEG 8000, 0.3 M sodium acetate, 0.1 M PIPES, pH 6.5, VAPOR DIFFUSION, temperature 283K

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