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4YWF

AbyA5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2014-05-21
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97957
Spacegroup nameC 1 2 1
Unit cell lengths92.080, 87.180, 47.910
Unit cell angles90.00, 101.63, 90.00
Refinement procedure
Resolution36.390 - 2.000
R-factor0.21883
Rwork0.218
R-free0.23643
Structure solution methodSAD
RMSD bond length0.017
RMSD bond angle1.817
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHENIX
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.390
High resolution limit [Å]2.000
Rmerge0.0650.290
Number of reflections25075
<I/σ(I)>3.4
Completeness [%]99.9
Redundancy5.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52910.02M magnesium chloride, 0.1M HEPES, 22% w/v polyacrylic acid 5100 sodium salt, pH 7.5

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