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3V8A

Thaumatin by Classical Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2010-09-10
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97633
Spacegroup nameP 41 21 2
Unit cell lengths58.201, 58.201, 151.985
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.210 - 2.300
R-factor0.19537
Rwork0.194
R-free0.23207
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ald
RMSD bond length0.021
RMSD bond angle1.805
Data scaling softwareSCALA (3.3.16)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]54.35241.1541.580
High resolution limit [Å]1.5004.7401.500
Rmerge0.035
Number of reflections12214
<I/σ(I)>7.217.7
Completeness [%]97.799.693.2
Redundancy13.812.112.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52936 uL protein solution containing 18 mg/mL thaumatin in 100 mM ADA disodium salt buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

217705

数据于2024-03-27公开中

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