X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 288 0.1M NaF, 24% PEG3350, 0.1M Bis-Tris prop pH 8.5, 20% ethylene glycol
Unit Cell:
a: 90.303 Å b: 94.928 Å c: 48.241 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.56 Solvent Content: 51.97
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 1.72 47.46 39382 ? 88.25 0.2115 0.2279 ?
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
1.68 47.464 92.9 0.122 ? 13.6 13.99 ? 39403 ? ? ?
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 5.019 47.464 100 ? ? 30.1 ? ?
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 CLSI BEAMLINE 08ID-1 0.9537 CLSI 08ID-1
Software
Software Name Purpose Version
PHENIX refinement (2.0_5824: ???)
XDS data scaling VERSION Apr 16, 2026 BUILT=20260616
XDS data reduction VERSION Apr 16, 2026 BUILT=20260616
PHENIX phasing (2.0_5824: ???)
PDB_EXTRACT data extraction .
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