X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02 M of each monosaccharide, 0.1 M MES/imidazole pH 6.5
Unit Cell:
a: 114.12 Å b: 114.12 Å c: 103.06 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 31 2 1
Crystal Properties:
Matthew's Coefficient: 2.72 Solvent Content: 54.77
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 THROUGHOUT 3.280 37.35 12214 630 99.837 ? 0.2471 131.090
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
3.20 37.353 99.9 0.123 ? 17.2 18.8 ? 13154 ? ? ?
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 3.20 3.42 100 ? ? ? ? ?
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 NFPSS BEAMLINE BL18U 0.97946 NFPSS BL18U
Software
Software Name Purpose Version
REFMAC refinement 5.8.0431 (refmacat 0.4.105)
Aimless data scaling 0.7.9
XDS data reduction Jun 30, 2023
gemmi data extraction 0.7.1
PHASER phasing .
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