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3BJW

Crystal Structure of ecarpholin S complexed with suramin

Replaces:  2QHG
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2006-03-12
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths51.450, 132.250, 86.100
Unit cell angles90.00, 99.33, 90.00
Refinement procedure
Resolution20.000 - 2.300
Rwork0.217
R-free0.27500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1jia
RMSD bond length0.012
RMSD bond angle1.482
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0890.386
Number of reflections55923
<I/σ(I)>8.8
Completeness [%]97.586.6
Redundancy3.32.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION5.629310% PEG3350, 10% iso-propanol, 0.1M sodium citrate, the ratio of suramin to protein is 1.5:1, pH5.6, EVAPORATION, temperature 293K

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