X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298.0 Ammonium sulphate, Mes, PEG monomethylether 5000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
Unit Cell:
a: 62.092 Å b: 62.055 Å c: 74.042 Å α: 106.05° β: 105.95° γ: 100.97°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.2 Solvent Content: 43
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 1.84 66.67 74714 1464 89.75 0.16797 0.22417 26.061
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
1.84 66.67 89.7 ? ? ? ? 84879 76176 ? ? ?
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 1.84 1.90 52.5 ? ? ? ? ?
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
ROTATING ANODE RIGAKU FR-E SUPERBRIGHT ? ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.2.0005
MOSFLM data reduction .
CCP4 data scaling (SCALA)
PHASER phasing .
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