X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 292 protein in HEPES buffer pH 7 (adjusted with KOH) 25 mM + K2SO4 50 mM vs Ammonium phosphate 0.2M , Ammonium sulphate 2.2M
Unit Cell:
a: 90.456 Å b: 90.456 Å c: 163.435 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.92 Solvent Content: 57.94
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 1.845 27.00 59001 2973 99.9 0.2003 0.2194 44.16
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
1.845 46.67 99.9 0.077 ? 28.1 27.0 ? 59001 ? ? 38.42
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 1.85 1.90 ? 99.1 ? ? 27.3 ?
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
SYNCHROTRON SOLEIL BEAMLINE PROXIMA 2 0.95372 SOLEIL PROXIMA 2
Software
Software Name Purpose Version
BUSTER refinement 2.10.4 (10-JUL-2024)
Aimless data scaling .
XDS data reduction .
PHASER phasing 2.8.3
PDB_EXTRACT data extraction .
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