X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? ? CRYSTALS WERE GROWN USING AMMONIUM SULFATE AS PRECIPITANT.
Unit Cell:
a: 72.030 Å b: 85.780 Å c: 37.420 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 24.4
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 ? 2.1 6.0 12238 ? ? ? ? 30.1
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
2.0 13.7 92.3 0.054 ? ? 4.3 ? 105196 ? 0.0 23.8
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 2.00 2.05 61.2 ? ? 3.3
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 269 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
? ? ? ? ?
Software
Software Name Purpose Version
MOSFLM data reduction .
AGROVATA/ROTAVATA data reduction .
ALMN/CCP4 model building .
PROLSQ refinement .
Agrovata data scaling .
ROTAVATA data scaling .
CCP4 phasing (ALMN)
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