X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.83 293 PEG400, AmSO4, BisTris
Unit Cell:
a: 76.172 Å b: 90.362 Å c: 90.249 Å α: 114.59° β: 112.36° γ: 93.44°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.63 Solvent Content: 53.27
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 1.86 79.35 72672 3863 46.46 0.20441 0.24525 27.363
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
1.858 79.35 46.5 0.172 ? 3.9 3.6 ? 76535 ? ? ?
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 1.858 2.191 6 ? ? 1.5 3.7 ?
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 MAX IV BEAMLINE BioMAX 0.72932 MAX IV BioMAX
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
STARANISO data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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