X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 277 20% PEG 8000, 0.04M potassium phosphate
Unit Cell:
a: 82.107 Å b: 27.082 Å c: 55.694 Å α: 90.000° β: 100.110° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 1.73 Solvent Content: 28.86
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 FOURIER SYNTHESIS THROUGHOUT 1.2820 40.4200 25514 1286 81.3000 0.1890 0.2136 17.4000
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
1.288 40.416 85.600 ? ? 28.000 5.800 ? 25489 ? ? 13.810
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 1.288 1.352 37.100 ? ? ? 3.300 1274
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 0.97622 Diamond I03
Software
Software Name Purpose Version
BUSTER refinement 2.10.3 (29-NOV-2019)
Aimless data scaling .
PDB_EXTRACT data extraction 3.23
XDS data reduction .
REFMAC phasing .
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