X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.5 291 AMMONIUM SULFATE, SODIUM ACETATE, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 52.172 Å b: 52.172 Å c: 135.483 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.62
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 SYNTHESIS THROUGHOUT 2.50 27.10 3922 386 93.3 0.21501 0.279 33.6
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
2.5 27.1 91.3 0.092 0.092 18.5 ? 3922 3922 0. 0. 43.8
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 2.5 2.66 91.3 ? 0.241 4.6 ? 541
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 291 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RU200 1.5418 ? ?
Software
Software Name Purpose Version
DENZO data reduction .
AUTOMAR data reduction .
CNS refinement .
CNS phasing .
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