X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293 Delta-FOSB/JUND bZIP crystals were grown at 293 K with the hanging-drop vapor-diffusion method by mixing 2 to 4 microL of Delta-FOSB/JUND bZIP (8-10 mg/ml in 20 mM HEPES pH 7.0, 250 mM NaCl with 1 mM TCEP with an equal volume of reservoir solution consisting of either 100 mM Tris pH 8.5, 35% (v/v) isopropanol or 100 mM Tris pH 7.0, 40% (v/v) ethanol. Crystals grew within 7 days to a final size of 0.1-0.3 mm. The crystals were soaked in 10-20 mM JFD00458 compound (diluted in reservoir solution from 200 mM stock) for 1 hour and cryo-protected in reservoir solution supplemented with 10-20 mM JFD00458 and then flash-cooled by plunging into liquid nitrogen
Unit Cell:
a: 48.208 Å b: 65.869 Å c: 123.389 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.03 Solvent Content: 59.39
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 1.73 61.69 14261 692 67.88 0.2144 0.2880 35.33
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
1.729 61.69 91.5 0.073 ? 16.6 12.2 ? 14265 ? ? 21.35
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 1.729 1.977 62.4 ? ? ? 7.3 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 196 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALS BEAMLINE 5.0.1 0.9774 ALS 5.0.1
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
AutoProcess data reduction .
STARANISO data scaling .
PHASER phasing .
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