X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293 6.0 M ammonium nitrate, 0.1 M BIS TRIS propane pH 7.0
Unit Cell:
a: 41.320 Å b: 41.320 Å c: 53.493 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41 21 2
Crystal Properties:
Matthew's Coefficient: 1.85 Solvent Content: 33.45
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 SAD FREE R-VALUE 1.49 32.70 14061 1425 97.22 0.1591 0.1909 19.63
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
1.49 32.70 97.98 0.1256 ? 19.31 18.9 ? 148327 ? ? 14.50
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 1.49 1.543 80.41 ? ? 3.06 5.3 ?
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 MAX IV BEAMLINE BioMAX 1.362460 MAX IV BioMAX
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
XDS data reduction .
XDS data scaling .
PHENIX phasing 1.20.1_4487
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