X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 298 0.1M Na Acetate pH 4.5, 3 M Na Chloride
Unit Cell:
a: 174.796 Å b: 174.796 Å c: 174.796 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: F 4 3 2
Crystal Properties:
Matthew's Coefficient: 2.41 Solvent Content: 48.86
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 2.65 24.48 7033 632 99.47 0.1914 0.2392 43.63
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
2.65 25.00 100 0.272 ? 17.48 29.6 ? 7074 ? ? 42.02
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 2.65 2.70 100 ? ? 2.08 9.0 ?
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 MICROMAX-007 1.5418 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.15_3448
HKL-3000 data reduction .
HKL-3000 data scaling .
BALBES phasing .
PHENIX model building .
Coot model building .
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