X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.9 291 2.8M ammonium sulphate, 0.1M Tris pH7.9
Unit Cell:
a: 54.520 Å b: 54.520 Å c: 75.360 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 3.22 Solvent Content: 61.79
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 FOURIER SYNTHESIS THROUGHOUT 1.4800 34.3400 34832 1852 99.9600 0.1969 0.2225 29.5090
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
1.480 37.680 100.000 0.038 ? 20.900 6.600 ? 36721 ? ? ?
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 1.480 1.520 99.900 ? ? ? 6.700 2706
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 DIAMOND BEAMLINE I24 0.96871 Diamond I24
Software
Software Name Purpose Version
REFMAC refinement 5.8.0238
Aimless data scaling 0.7.4
PDB_EXTRACT data extraction 3.23
XDS data reduction .
REFMAC phasing .
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