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5G4B

Crystal structure of Aura virus capsid protein in complex with piperazine.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR-H
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2013-10-31
DetectorMAR scanner 345 mm plate
Spacegroup nameC 1 2 1
Unit cell lengths79.256, 34.839, 49.169
Unit cell angles90.00, 101.94, 90.00
Refinement procedure
Resolution48.110 - 2.240
R-factor0.20127
Rwork0.199
R-free0.26484
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4agk
RMSD bond length0.004
RMSD bond angle0.936
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.250
High resolution limit [Å]2.2102.210
Rmerge0.0600.260
Number of reflections4847
<I/σ(I)>14.82
Completeness [%]79.641.6
Redundancy2.71.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.1 M BIS-TRIS AND 22 % POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, pH 6.5

221051

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