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1T7E

Crystal structure of mutant Pro9Ser of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-18B
Synchrotron sitePhoton Factory
BeamlineBL-18B
Temperature [K]283
Detector technologyCCD
Collection date2000-11-20
DetectorADSC QUANTUM 4
Wavelength(s)1.0
Spacegroup nameP 32 2 1
Unit cell lengths46.907, 46.907, 53.748
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.000 - 1.400
R-factor0.19494
Rwork0.192
R-free0.21589
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1sn1
RMSD bond length0.013
RMSD bond angle1.669
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.480
High resolution limit [Å]1.4001.400
Rmerge0.0530.355
Number of reflections13889
<I/σ(I)>7.92
Completeness [%]100.0100
Redundancy74.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6293Sodium phosphate, PEG400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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