X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 295 0.1 M Tris-HCl, pH 8.0, 1.5 M K-acetate, 5% (v/v) glycerol and 20 mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 59.693 Å b: 59.693 Å c: 81.778 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.26 Solvent Content: 45.54
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 ? 1.700 19.539 35287 1758 98.45 0.1627 0.1988 ?
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
1.7 20.0 98.4 0.074 ? ? 8.8 35864 35292 1.0 1.0 ?
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 1.7 1.8 96.3 ? ? 3.54 8.5 5563
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
ROTATING ANODE RIGAKU 1.5418 ? ?
Software
Software Name Purpose Version
CrystalClear data collection .
PHENIX model building (phenix.autosol)
PHENIX refinement (phenix.refine: 1.9_1692)
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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