X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 1.8 M ammonium sulphate, 100 mM Tris (pH 7.3)
Unit Cell:
a: 103.890 Å b: 103.890 Å c: 64.350 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 2.71 Solvent Content: 54.69
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 THROUGHOUT 1.020 16.765 200220 10169 99.970 ? 0.1607 ?
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
1.00 17 99.9 ? ? 5.3 20 ? 212451 ? ? 8.8
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 1.00 1.01 ? ? ? 1.2 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
FREE ELECTRON LASER SACLA BEAMLINE BL2 0.954 SACLA BL2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
CrystFEL data reduction .
CrystFEL data scaling .
PHASES phasing .
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