X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289.15 1.5 M ammonium sulfate, 0.1 M Tris (pH 8.5), 12% glycerol
Unit Cell:
a: 50.480 Å b: 87.434 Å c: 263.830 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.86 Solvent Content: 56.96
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 3.39 43.97 7971 450 99.13 0.25090 0.30408 ?
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
3.39 43.97 99.6 0.178 ? 7.1 4.6 ? 8422 ? ? ?
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 3.39 3.66 ? ? ? 2.0 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 288.15 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SEALED TUBE BRUKER D8 QUEST 1.542 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.20.1
HKL-2000 data reduction .
HKL-2000 data scaling .
MOLREP phasing .
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