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3VDZ

Tailoring Encodable Lanthanide-Binding Tags as MRI Contrast Agents: xq-dSE3-Ubiquitin at 2.4 Angstroms

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyCCD
Collection date2009-05-15
DetectorBruker Platinum 135
Wavelength(s)1.54
Spacegroup nameP 32
Unit cell lengths46.166, 46.166, 113.552
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution37.851 - 2.400
R-factor0.228
Rwork0.223
R-free0.26990
Structure solution methodSAD
RMSD bond length0.012
RMSD bond angle1.370
Data reduction softwareSAINT (V7.60A)
Data scaling softwareSAINT
Phasing softwareSOLVE
Refinement softwarePHENIX (dev_940)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.9802.490
High resolution limit [Å]2.4002.400
Rmerge0.0500.271
Number of reflections20445
<I/σ(I)>11.253.14
Completeness [%]96.590.8
Redundancy3.82.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP52900.1 M MES pH 5.0, 0.3 M ammonium sulfate, 19% poly(ethylene) glycol 8000 and 20 % glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 290K

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