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8OT5

Crystal structure of the titin domain Fn3-85

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2014-04-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.969
Spacegroup nameP 1 21 1
Unit cell lengths59.358, 99.829, 62.239
Unit cell angles90.00, 105.55, 90.00
Refinement procedure
Resolution57.190 - 1.560
R-factor0.1642
Rwork0.163
R-free0.19120
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.996
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]57.1901.620
High resolution limit [Å]1.5601.560
Rmerge0.0910.358
Number of reflections984859760
<I/σ(I)>10.29
Completeness [%]99.3
Redundancy3.4
CC(1/2)0.9880.831
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29330mM HEPES pH 7.5 150mM NaCl 1mM DTT 100mM Bis-Tris propane pH 6.5 200mM sodium iodide 20% w/v PEG3350

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