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1NYU

Crystal Structure of Activin A Bound to the ECD of ActRIIB

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 5ID-B
Synchrotron siteAPS
Beamline5ID-B
Temperature [K]113
Detector technologyCCD
Collection date2002-04-28
DetectorMARRESEARCH
Wavelength(s)1.000
Spacegroup nameP 41 21 2
Unit cell lengths141.330, 141.330, 46.021
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution14.990 - 3.100
R-factor0.268
Rwork0.268
R-free0.29100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bte
RMSD bond length0.010
RMSD bond angle28.000

*

Data scaling softwareSCALEPACK
Phasing softwareBRUTE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.000

*

3.150
High resolution limit [Å]3.1003.100
Rmerge0.0830.437
Total number of observations128261

*

Number of reflections8815

*

<I/σ(I)>31.15.9
Completeness [%]97.6

*

95.6

*

Redundancy14.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5

*

295PEG 4000, sodium chloride, hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein7-10 (mg/ml)
21dropHEPES20 (mM)
31drop150 (mM)pH7.5
41reservoirPEG400027 (%)
51reservoir250 (mM)
61reservoirHEPES100 (mM)pH7.0

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