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4H0B

Complex of G65T Myoglobin with DMSO in its Distal Cavity

Replaces:  3OCK
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2009-06-13
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.0
Spacegroup nameP 6
Unit cell lengths90.499, 90.499, 45.319
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.020 - 1.260
R-factor0.1284
Rwork0.127
R-free0.15340
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.028
RMSD bond angle2.349
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.310
High resolution limit [Å]1.2602.7101.260
Rmerge0.0690.0560.164
Number of reflections57188
<I/σ(I)>16.2
Completeness [%]99.999.299.9
Redundancy5.65.34.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52982.6M AS, 50mM Tris 8.5, 1mM EDTA, vapor diffusion, hanging drop, temperature 298K

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