X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 ? CRYSTALLIZED FROM 18% PEG8000, 500MM NACL, 20MM UDP-GLUCOSE THEN SOAKED IN 25% PEG8000, 750MM NACL, 20MM UDP-GLUCOSE, 20% ETHYLENE GLYCOL, pH 9.0
Unit Cell:
a: 85.000 Å b: 85.000 Å c: 106.700 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.0 Solvent Content: 59
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION FOURIER DIFFERENCE ? 1.8 30.0 37966 0 91.0 0.181 ? ?
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.8 30.0 91 0.041 0.041 15.0 2.1 ? 37966 ? 0 ?
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.80 1.88 74 0.204 1.9 1.2
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 120 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RUH2R ? ? ?
Software
Software Name Purpose Version
TNT refinement 5E
SAINT data reduction .
XCALIBRE data scaling .
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