X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 294 1M ammonium sulphate, 17% glycerol, 0.1M tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Unit Cell:
a: 220.791 Å b: 220.791 Å c: 220.791 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41 3 2
Crystal Properties:
Matthew's Coefficient: 4.85 Solvent Content: 74.62
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 SIRAS THROUGHOUT 3.10 47.07 15637 1332 99.92 0.18648 0.22686 96.074
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
3.1 49.37 100 0.097 0.095 31.3 22.0 16988 16991 1 1 107.9
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 3.1 3.26 100 ? 0.265 3.3 22.3 2427
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 80 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALBA BEAMLINE XALOC 1.07220 ALBA XALOC
Software
Software Name Purpose Version
xaloc data collection beamline
MOLREP phasing .
REFMAC refinement 5.6.0117
XDS data reduction .
SCALA data scaling .
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