X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 293 30% PEG 3350 0.1M pH=5.5 Na acetate/acetic acid
Unit Cell:
a: 38.549 Å b: 40.989 Å c: 60.618 Å α: 83.81° β: 83.65° γ: 66.85°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.03 Solvent Content: 39.43
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 1.42 37.62 42693 2158 69.70 0.17024 0.21031 22.034
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
1.42 37.62 73.4 ? ? 13.6 1.9 ? 44660 ? ? ?
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 1.42 1.485 ? ? ? ? ? ?
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 SLS BEAMLINE X06SA 0.99999 SLS X06SA
Software
Software Name Purpose Version
REFMAC refinement 5.8.0232
PDB_EXTRACT data extraction .
XDS data reduction .
Aimless data scaling .
REFMAC phasing .
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