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4H07

Complex of G65T Myoglobin with Phenol in its Proximal Cavity

Replaces:  3OBD
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 lengths90.531, 90.531, 45.158
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution39.130 - 1.140
R-factor0.1339
Rwork0.133
R-free0.15260
RMSD bond length0.027
RMSD bond angle2.343
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.160
High resolution limit [Å]1.1403.0901.140
Rmerge0.0520.0360.366
Number of reflections76906
<I/σ(I)>13.4
Completeness [%]99.999.898.1
Redundancy7.512.23.7
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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