X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 Solution of 50 mM Calcium acetate, 100 mM Imidazole pH 8.0, 30-35% (v/v) 2-Ethoxyethanol ; added to 250 uM cGAS protein, 300 uM DNA, 2 mM Ap4A, in 20 mM Tris-HCL pH 7.5, 0.5 mM TCEP, 150 mM NaCl, 5 mM MgCl2 in a 1 to 1 or 1 to 2 ratio.
Unit Cell:
a: 78.030 Å b: 98.940 Å c: 143.030 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.57 Solvent Content: 52.16
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 2.70 40.68 31249 1563 99.92 0.2306 0.2633 90.73
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
2.7 46.75 99.9 ? ? 11.37 13.43 ? 31264 ? ? 75.42
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 2.7 2.86 ? ? ? 1.44 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 90 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID23-2 0.873128 ESRF ID23-2
Software
Software Name Purpose Version
PHENIX refinement v1.20.1_4487
XDS data reduction .
XDS data scaling .
PHASER phasing .
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