X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 298 20% PEG3000, 0.1 M sodium citrate, pH 5.6
Unit Cell:
a: 46.898 Å b: 54.903 Å c: 62.261 Å α: 60.630° β: 79.770° γ: 88.830°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.98 Solvent Content: 37.76
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 1.7000 47.7500 49857 2623 90.0100 0.1753 0.2166 26.3280
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
1.70 50 85.2 0.083 ? 23.99 2.8 ? 58337 ? ? ?
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 1.70 1.73 ? ? ? 2.36 ? ?
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 APS BEAMLINE 19-ID 0.987 APS 19-ID
Software
Software Name Purpose Version
REFMAC refinement 5.8.0258
PDB_EXTRACT data extraction 3.25
HKL-3000 data reduction .
HKL-3000 data scaling .
MOLREP phasing .
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