X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 0.09 M HEPES, pH 6.8, 27% w/v PEG3350, 5% v/v cholin acetate (HR Ionic Liquid 5), protein:cocktail ratio of 2:1
Unit Cell:
a: 77.593 Å b: 79.428 Å c: 108.777 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 2 21 21
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.5
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 1.90 29.37 50888 2688 99.80 0.15327 0.19585 31.370
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
1.90 29.64 99.9 0.063 ? 13.3 5.9 ? 53622 ? ? ?
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 1.90 1.94 ? 99.9 ? ? 4.0 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.541838 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
Aimless data scaling .
PHASER phasing .
PDB_EXTRACT data extraction .
CrysalisPro data reduction .
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