X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 1.25 M sodium citrate tribasic, 0.1 M HEPES pH 8.0
Unit Cell:
a: 104.54 Å b: 138.15 Å c: 179.96 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.74 Solvent Content: 67.15
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 1.770 47.18 126334 2100 99.986 ? 0.1905 27.843
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
1.77 47.18 100 ? ? 11.63 13.39 ? 126334 ? ? 30.31
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 1.77 1.88 ? ? ? ? ? ?
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 BESSY BEAMLINE 14.2 0.918 BESSY 14.2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430 (refmacat 0.4.100)
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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