X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.33 298.15 0.1 M Bis Tris propane pH 6.33, 30% polyethylene glycol 3350, 0.2 M Na/K phosphate, 1.25 mM Beryllium sulphate, 8.75 mM Sodium fluoride and 630 mM Manganese chloride
Unit Cell:
a: 46.856 Å b: 47.788 Å c: 96.997 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 2 21
Crystal Properties:
Matthew's Coefficient: 1.71 Solvent Content: 28.04
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 2.60 42.23 6656 336 98.12 0.19251 0.25443 54.503
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
2.60 42.23 98.8 0.107 ? 9.6 4.2 ? 7011 ? ? ?
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 2.60 2.72 ? 99.8 ? ? 4.2 ?
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 08B1-1 1.18079 CLSI 08B1-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
Aimless data scaling .
PDB_EXTRACT data extraction .
XDS data reduction .
PHASER phasing .
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