X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 293 8.33 mg/mL protein complex; 83.3 mM NaCl; 67 mM MMT (malic acid, 2-(N-morpholino)ethanesulfonic acid); 16.7 mM Tris-Cl; 6.7% ethanol; 16.7% PEG1500; pH 6.0
Unit Cell:
a: 34.831 Å b: 52.923 Å c: 66.390 Å α: 72.027° β: 86.914° γ: 71.845°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.13 Solvent Content: 42.22
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 FREE R-VALUE 1.85 47.85 34223 2004 93.57 0.1917 0.2194 29.82
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
1.85 47.85 94.6 0.087 ? 6.8 3.4 ? 34223 ? ? ?
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 1.92 1.97 ? ? ? ? ? ?
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 DIAMOND BEAMLINE I03 0.9763 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement 1.21_5207
XDS data reduction 5.15.9
XDS data scaling 5.15.9
PHENIX phasing 1.21_5207
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