X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 293 0.2M potassium sodium tatrate tetrahydrate, 2M ammonium sulphate, 0.1M trisodium citrate dihydrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 179.965 Å b: 179.965 Å c: 179.965 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 4 3 2
Crystal Properties:
Matthew's Coefficient: 3.0 Solvent Content: 58.6
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 MOLECULAR REPLACEMENT THROUGHOUT 2.85 27.45 6271 691 99.8 0.198 0.25 66.5
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
2.85 30.0 99.6 0.097 ? 21.6 14.5 ? 6271 0.0 0.0 85.7
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 2.85 3.03 99.6 ? ? ? ? 604
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RU200 1.5418 ? ?
Software
Software Name Purpose Version
CNS refinement 1.1
DENZO data reduction .
SCALEPACK data scaling .
AMoRE phasing .
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