X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 277 20% PEG3350 0.1M bis-tris propane 0.2 Ammonium Sulfate
Unit Cell:
a: 44.933 Å b: 57.277 Å c: 73.783 Å α: 93.81° β: 103.74° γ: 110.64°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.01 Solvent Content: 38.85
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 2.50 52.92 21280 1090 98.15 0.22414 0.27228 48.000
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
2.50 52.92 98.1 ? ? 7.2 3.6 ? 22505 ? ? ?
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 2.50 2.60 ? ? ? ? ? ?
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 0.95374 Diamond I03
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
Aimless data scaling .
DIALS data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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