X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION
Unit Cell:
a: 317.270 Å b: 304.030 Å c: 184.600 Å α: 90.00° β: 94.36° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: ? Solvent Content: ?
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 OTHER ? 2.45 7.50 485000 ? ? ? ? ?
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
2.45 24.73 76.0 0.14 ? ? 1.6 ? 503000 ? . ?
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
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 292 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE ELLIOTT GX-6 ? ? ?
Software
Software Name Purpose Version
FRODO refinement .
FILME data reduction .
PURDUE data scaling DATA PROCESSING PACKAGE
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