X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.69 293 24.2% (w/v) PEG3350, 1.72 M sodium formate, 100 mM calcium chloride, 100 mM sodium acetate pH 4.69
Unit Cell:
a: 150.789 Å b: 237.952 Å c: 84.144 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 3.09 Solvent Content: 60.25
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 1.80 42.46 139592 7046 99.93 0.1819 0.1977 37.51
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
1.8 42.46 99.93 0.1079 ? 10.14 6.8 ? 139654 ? ? 28.21
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 1.8 1.86 99.81 ? ? 1.15 6.4 ?
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 0.9201 NSLS-II 17-ID-1
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
Coot model building .
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