X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298. 2.2 M NH4SO4, 6% isopropanol, including a layer of Hampton's "Al's oil", pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Unit Cell:
a: 59.860 Å b: 67.300 Å c: 91.300 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.34 Solvent Content: 63.16
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 ? ? 2.10 20.0 5304 530 93 ? 0.258 ?
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
2.1 20.0 93 0.044 ? ? 4.5 24029 5304 1.5 1.5 ?
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
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON CHESS BEAMLINE A1 ? CHESS A1
Software
Software Name Purpose Version
AMoRE phasing .
TNT refinement 5E
DENZO data reduction .
SCALEPACK data scaling .
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