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2IIC

Calcium bound structure of alpha-11 giardin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-1
Synchrotron siteSSRL
BeamlineBL9-1
Detector technologyCCD
Collection date2006-07-19
DetectorADSC QUANTUM 315
Wavelength(s)0.979
Spacegroup nameP 1 21 1
Unit cell lengths129.300, 45.285, 131.901
Unit cell angles90.00, 116.39, 90.00
Refinement procedure
Resolution40.000 - 2.930
Rwork0.264
R-free0.30600
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.491
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.010
High resolution limit [Å]2.9102.910
Rmerge0.1040.493
Number of reflections30731
<I/σ(I)>6.8
Completeness [%]99.699.4
Redundancy3.73.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5277100mM Bis-Tris pH 6.5, 24% PEG 550 MME, 50mM calcium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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