X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 293 100 mM Tris pH 7.3, 1.8 M Ammonium Sulphate
Unit Cell:
a: 104.56 Å b: 104.56 Å c: 64.66 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 2.55 Solvent Content: 51.69
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 1.800 30.002 37411 1873 99.925 ? 0.1833 28.482
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
1.80 45.28 100.0 0.133 ? 6.8 5.6 ? 37438 ? ? ?
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 1.80 1.84 ? ? ? ? 5.7 ?
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 DIAMOND BEAMLINE I24 0.77491 Diamond I24
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
REFMAC refinement 5.8.0425
REFMAC phasing 5.8.0425
Aimless data scaling .
xia2 data reduction .
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