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1DWT

Photorelaxed horse heart MYOGLOBIN CO complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12C
Synchrotron siteNSLS
BeamlineX12C
Temperature [K]88
Detector technologyCCD
Collection date1997-10-09
DetectorBRANDEIS
Spacegroup nameP 1 21 1
Unit cell lengths62.800, 28.800, 35.200
Unit cell angles90.00, 106.20, 90.00
Refinement procedure
Resolution20.000 - 1.400
R-factor0.197
Rwork0.197
R-free0.24300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1azi
RMSD bond length0.007
RMSD bond angle1.230
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareX-PLOR (3.851)
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.500
High resolution limit [Å]1.4001.400
Rmerge0.0850.266
Number of reflections23555
<I/σ(I)>7.42.6
Completeness [%]97.898
Redundancy2.42.42
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5HHMB(SIGMA) WAS CRYSTALLIZED AT ROOM TEMPERATURE BY EQUILIBRATING 10 UL DROPS OF 5 MG/ML PROTEIN IN 1.7-1.8 M AMMONIUM SULFATE, 0.1 M TRIS HCL PH 7.5 USING THE HANGING DROP GEOMETRY
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein5 (mg/ml)
21dropammonium sulfate1.7-1.8 (M)
31dropTris-HCl0.1 (M)
41reservoirammonium sulfate3.4-3.6 (M)
51reservoirTris-HCl0.1 (M)

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