X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 300 0.1 M Bis-Tris:HCl pH 5.5, and 2 M ammonium sulfate
Unit Cell:
a: 63.463 Å b: 22.549 Å c: 61.300 Å α: 90.000° β: 102.160° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 1.84 Solvent Content: 33.09
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 AB INITIO PHASING FREE R-VALUE 1.48 25.45 14362 679 99.05 0.2079 0.2265 20.60
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
1.48 25.45 99.2 0.073 ? 14.73 6.4 ? 14382 ? ? 16.83
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 1.48 1.53 ? ? ? ? ? ?
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 NSLS-II BEAMLINE 17-ID-1 0.92009 NSLS-II 17-ID-1
Software
Software Name Purpose Version
PHENIX refinement 2.0_5936
XDS data reduction .
XDS data scaling .
Arcimboldo phasing .
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