X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.8 293 MOPS, Magnesium sulfate, Silver nitrate
Unit Cell:
a: 105.917 Å b: 105.917 Å c: 93.855 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 8.41 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 SAD FREE R-VALUE 4.37 32.80 1728 101 67.76 0.2032 0.2664 404.38
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
4.368 32.800 84.8 ? ? 10.6 10.3 ? 1730 ? ? 363.57
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 4.368 4.969 50.9 ? ? ? 10.7 ?
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 APS BEAMLINE 17-ID 1.65313 APS 17-ID
Software
Software Name Purpose Version
PHENIX refinement 1.18.2_3874
autoPROC data reduction .
STARANISO data scaling .
AutoSol phasing .
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