X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.9 294 6% PEG 3350, 0.05 M MgCl2, 0.4 M KCl, 0.05 M Trs-HCl, 1 mM AMPPNP, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Unit Cell:
a: 81.200 Å b: 81.200 Å c: 107.100 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.90 Solvent Content: 57.52
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 ? 2.40 20.00 15225 755 ? 0.216 0.260 ?
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
2.400 20.000 94.6 ? 0.057 15.8000 6.8 16094 15225 0.00 0.000 ?
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 2.40 2.50 83.2 ? 0.379 ? 6.1 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON CLSI BEAMLINE 08ID-1 ? CLSI 08ID-1
Software
Software Name Purpose Version
XDS data scaling .
CNS refinement .
XDS data reduction .
CNS phasing .
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