X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Potassium phosphate (1.9 M, pH 8.8) with crystal seed
Unit Cell:
a: 118.967 Å b: 77.599 Å c: 99.250 Å α: 90.000° β: 116.660° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.59 Solvent Content: 52.43
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 FREE R-VALUE 2.78 45.57 20407 1022 99.56 0.1598 0.2178 35.05
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
2.7800 59.09 99.98 ? ? 3.325 33.03 ? 20500 ? ? 41.48
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 2.78 2.8279 99.90 ? ? 1.609 21.70 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
FREE ELECTRON LASER PAL-XFEL BEAMLINE NCI 1.3042 PAL-XFEL NCI
Software
Software Name Purpose Version
PHENIX refinement 1.18.2_3874
DIALS data reduction .
DIALS data scaling .
PHENIX phasing .
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