X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 Custom screen based on BCS screen well-A6 0.1 M MES pH 6.5 22.5 % PEG smear Medium 7.5 mg/ml Protein 1:1 P:R Streak seed with native crystals using whisker from pet dog (dogs name = Louie)
Unit Cell:
a: 45.590 Å b: 113.062 Å c: 60.117 Å α: 90.00° β: 103.46° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.44
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 2.89 56.53 13277 656 99.60 0.1921 0.2465 ?
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
2.889 56.531 100.0 0.230 ? 12.0 34.8 ? 13329 ? ? 59.991
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 2.89 2.97 97 ? ? 0.9 6.2 ?
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 I04 0.9795 Diamond I04
Software
Software Name Purpose Version
PHENIX refinement (1.14_3260: ???)
Aimless data scaling .
xia2 data reduction .
AutoSol phasing .
PDB_EXTRACT data extraction .
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