X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 2M Ammonium Sulfate, 10mM nickel(II) chloride, 100 mM TRIS pH 8.5
Unit Cell:
a: 117.890 Å b: 171.800 Å c: 105.340 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.46 Solvent Content: 64.43
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 THROUGHOUT 3.2000 46.317 17136 881 99.8800 0.2325 0.2869 120.9920
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
3.20 46.32 99.9 0.162 ? 9.5 10.3 ? 18019 ? ? ?
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 9.05 46.27 ? ? ? ? 8.9 ?
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 APS BEAMLINE 21-ID-D 0.9792 APS 21-ID-D
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
Aimless data scaling 0.7.4
XDS data reduction .
PHASER phasing .
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