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1BG8

HDEA FROM ESCHERICHIA COLI

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date1998-02-16
DetectorMAR scanner 345 mm plate
Spacegroup nameC 1 2 1
Unit cell lengths47.476, 76.149, 73.607
Unit cell angles90.00, 98.93, 90.00
Refinement procedure
Resolution10.000 - 2.200
R-factor0.163
Rwork0.163
R-free0.27800
Structure solution methodMULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length0.013
RMSD bond angle24.365

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.260
High resolution limit [Å]2.2002.200
Rmerge0.071

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Number of reflections12863
<I/σ(I)>8.4
Completeness [%]97.294.8
Redundancy3.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

3.636% PEG400, 5% GLYCEROL, 50MM SODIUM CITRATE, PH 3.6
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPEG40036 (%)
21reservoirglycerol5 (%)
31reservoirsodium citrate50 (mM)

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