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4RD7

The crystal structure of a Cupin 2 conserved barrel domain protein from Salinispora arenicola CNS-205

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2014-08-25
DetectorADSC QUANTUM 315r
Wavelength(s)0.97915
Spacegroup nameP 41 21 2
Unit cell lengths43.687, 43.687, 132.811
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution36.497 - 1.571
R-factor0.1574
Rwork0.155
R-free0.19380
Structure solution methodSAD
RMSD bond length0.006
RMSD bond angle1.105
Data reduction softwareDENZO (Builder/HKL3000)
Data scaling softwareSCALEPACK (Builder/HKL3000)
Phasing softwareSHELXD (Builder/HKL3000)
Refinement softwarePHENIX ((phenix.refine: 1.8.2_1309))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.5001.600
High resolution limit [Å]1.5701.570
Rmerge0.1240.572
Number of reflections18841
<I/σ(I)>47.23.9
Completeness [%]100.099.8
Redundancy147.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.52891.6M Ammonium Sulfate, 0.1M MES:NaOH, 10% (v/v) Dioxane, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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