X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 298 0.2M K/Na Tartr., 20% PEG3350, 0.05M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 79.035 Å b: 75.912 Å c: 63.032 Å α: 90.00° β: 113.70° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.61 Solvent Content: 52.79
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 MAD THROUGHOUT 1.9 26.99 43752 2189 94.8 0.209 0.258 33.7
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
1.9 50 98.2 0.048 ? 24.17 4.0 53295 52336 4.0 4.0 17.3
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 1.9 1.97 93.0 ? ? 2.554 3.5 55398
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 APS BEAMLINE 19-BM 0.9795, 0.9797, 0.94656 APS 19-BM
Software
Software Name Purpose Version
CNS refinement 1.1
SBC-Collect data collection .
HKL-2000 data scaling .
CNS phasing .
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