X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 5 mM resveratrol, 10 %(v/v) PEG 400, 10 %(v/v) Glycerol, 0.7 M sodium citrate tribasic pH 7.0
Unit Cell:
a: 105.345 Å b: 137.422 Å c: 179.102 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.68 Solvent Content: 66.55
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 1.400 89.712 253124 12640 99.966 ? 0.1791 22.604
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
1.31 89.712 100 ? ? 11.8 13.1 ? 311348 ? ? 16.4
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 1.31 1.38 99.6 ? ? 1 11.2 ?
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 SSRF BEAMLINE BL10U2 0.979 SSRF BL10U2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
autoPROC data processing .
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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