X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 10% Glycerol, 0.9 M sodium citrate tribasic pH 7.0
Unit Cell:
a: 104.915 Å b: 138.194 Å c: 179.791 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.70 Solvent Content: 66.73
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 1.41 109.567 250356 12223 99.549 ? 0.1899 21.862
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
1.41 109.57 99.7 ? ? 9.9 13.4 ? 250737 ? ? 15.00
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 1.41 1.48 99.3 ? ? 1.1 13.4 ?
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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