X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 292 1.0 Ammonium sulfate, 0.1M Hepes, 0.5% Pag 8000, pH 7.0 , VAPOR DIFFUSION, SITTING DROP, temperature 292K
Unit Cell:
a: 116.099 Å b: 116.099 Å c: 46.367 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.54 Solvent Content: 65.21
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 SAD THROUGHOUT 2.96 40.00 7335 350 99.42 0.21046 0.27083 32.875
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
2.95 40 99.5 0.10 ? 25 8.4 7735 7695 2.0 2.0 86.3
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 2.95 3.00 100 ? ? 3.8 8.6 362
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 APS BEAMLINE 19-ID ? APS 19-ID
Software
Software Name Purpose Version
SBC-Collect data collection Collect
HKL-3000 phasing .
SHELX model building .
Coot model building .
MLPHARE phasing .
DM model building .
REFMAC refinement 5.5.0054
HKL-3000 data reduction .
HKL-3000 data scaling .
SHELX phasing .
DM phasing .
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