X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293.15 0.1M MES pH 6.5, 25% PEG 8000 and 0.2M (NH4)2SO4
Unit Cell:
a: 84.36 Å b: 45.32 Å c: 165.677 Å α: 90.0° β: 90.2951° γ: 90.0°
Symmetry:
Space Group: I 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.12
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 2.8000173706 46.3141657044 15787 732 99.8418922337 0.269432463201 0.315844926313 31.2155503281
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
2.8 46.3141657044 99.82 0.695 ? 12.71 8.0 ? 15801 ? ? 45.6819833446
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 2.8 2.9 ? ? ? ? ? ?
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 ALS BEAMLINE 5.0.3 0.979168 ALS 5.0.3
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692+SVN
PHENIX refinement 1.9_1692+SVN
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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