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: 50.599 Å b: 50.599 Å c: 267.800 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 2.91 Solvent Content: 57.80
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 2.52 44.67 7220 401 100.00 0.23381 0.27537 60.579
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
2.52 44.67 100.0 0.098 ? 17.2 11.0 ? 7707 ? ? ?
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 2.52 2.62 ? ? ? 2.3 ? ?
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 scaling 1.0
HKL-2000 data reduction 1.0
MOLREP phasing 1.0
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