X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298.15 80 mM NaCl, 24 mM KCl, 5 mM MgCl2, 40 mM NaCacodylate, 18% MPD, 8 mM spermine-4HCl
Unit Cell:
a: 83.738 Å b: 131.200 Å c: 84.640 Å α: 90.00° β: 91.71° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.62 Solvent Content: 52.97
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 FREE R-VALUE 3.000 44.438 71447 3578 99.17 0.1861 0.2458 ?
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
3.00 44.44 99.08 ? ? 17.68 6.8 ? 71447 ? ? 84.6
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 3.00 3.10 98.77 ? ? 1.77 6.8 ?
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 24-ID-C 1.105 APS 24-ID-C
Software
Software Name Purpose Version
PHENIX refinement (phenix.refine: 1.9_1678)
XDS data reduction January 10, 2014
XDS data scaling January 10, 2014
SHELXDE phasing 2013/2
PHENIX phasing (phenix.autosol: 1.9_1678)
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