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3I0I

Crystal structure of GTB C80S/C196S/C209S + UDP

Experimental procedure
Experimental methodMolecular Replacement
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-002
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2005-04-27
DetectorRIGAKU RAXIS IV++
Spacegroup nameC 2 2 21
Unit cell lengths52.065, 150.173, 79.770
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.940 - 1.900
R-factor0.17196
Rwork0.169
R-free0.22574
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1lz7
RMSD bond length0.028
RMSD bond angle1.961
Data scaling softwared*TREK (9.4SSI)
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.94019.9401.540
High resolution limit [Å]1.4903.2101.490
Rmerge0.0350.0180.397
Number of reflections49738
<I/σ(I)>67.32.8
Completeness [%]96.789.196.7
Redundancy4.355.093.56
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5279.1535mM sodium acetate pH 4.6, 45 mM ADA, 30mM sodium chloride, 3-4 mM magnesium chloride, 3-3.5% PEG 4000, vapor diffusion, hanging drop, temperature 279.15K

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