X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 289 0.1 M potassium chloride, 25% SOKALAN CP7, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Unit Cell:
a: 176.065 Å b: 176.065 Å c: 161.131 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 2.65 Solvent Content: 53.52
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 SAD THROUGHOUT 3.65 46.87 19679 1033 99.91 0.18042 0.23831 144.380
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
3.65 46.87 99.9 0.077 ? 13.2 26.6 20753 20753 2.1 2.1 ?
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 3.65 4.00 99.9 ? ? 2.1 26.7 ?
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 DIAMOND BEAMLINE I03 0.97620 Diamond I03
Software
Software Name Purpose Version
EDNA data collection .
AutoSol phasing .
REFMAC refinement 5.8.0049
XDS data reduction .
Aimless data scaling .
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