X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293.15 0.1M MES pH 6.5, 25% PEG 8000 and 0.2M (NH4)2SO4
Unit Cell:
a: 45.405 Å b: 116.184 Å c: 160.558 Å α: 90.0° β: 90.0° γ: 90.0°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.02 Solvent Content: 59.36
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 2.50010609405 47.0625922002 14394 1440 94.7971548999 0.187585297345 0.23710838339 26.53701817
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
2.50 47.07 94.77 0.2299 ? 10.42 11.0 ? 15072 ? ? 26.26
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 2.50 2.589 94.79 ? ? 1.65 ? ?
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 ALS BEAMLINE 5.0.3 0.979168 ALS 5.0.3
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692+SVN
PHENIX refinement 1.9_1692+SVN
XDS data reduction 20250119
XDS data scaling 20250119
PHENIX phasing 1.9_1692+SVN
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