X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 289 25% (w/v) PEG 3350, 0.15M ammonium sulfate, 0.1M bis-tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Unit Cell:
a: 113.000 Å b: 113.000 Å c: 60.100 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 2.28 Solvent Content: 45.98
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 1.80 18.83 21180 1114 84.12 0.20801 0.24452 30.096
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
1.8 50 84.2 ? ? ? ? 26516 22326 ? 1 ?
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 1.8 1.9 78.9 ? ? ? ? ?
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 MAX II BEAMLINE I911-3 0.9792 MAX II I911-3
Software
Software Name Purpose Version
MAR345dtb data collection .
MOLREP phasing .
REFMAC refinement 5.2.0019
XDS data reduction .
XDS data scaling .
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