X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 298 0.1M Tris-HCl, pH 8.5, 24% PEG8000, 1M NaCl
Unit Cell:
a: 173.751 Å b: 44.985 Å c: 126.433 Å α: 90.000° β: 110.083° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.54 Solvent Content: 51.65
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 FREE R-VALUE 3.20 58.52 14180 695 90.62 0.2447 0.2987 43.80
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
3.2 118.7 90.9 ? ? 4.2 3.4 ? 14251 ? ? 15.14
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 3.2 3.3 ? ? ? ? ? ?
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
SEALED TUBE RIGAKU PhotonJet-S 1.54 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.19.2_4158
CrysalisPro data collection .
autoPROC data processing 20250717
STARANISO data scaling .
PHENIX phasing .
autoPROC data reduction .
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