X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 20% (w/v) PEG 1000 100 mM Tris base/ Hydrochloric acid pH 8.5
Unit Cell:
a: 167.888 Å b: 129.520 Å c: 61.313 Å α: 90.00° β: 95.15° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.38
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 2.17 27.65 61605 3301 94.42 0.21644 0.24552 37.752
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
2.17 27.65 98.2 ? 0.056 20.8 3.2 ? 61605 ? ? ?
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 2.17 2.25 ? ? 0.59 ? ? ?
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 NSRRC BEAMLINE BL15A1 1 NSRRC BL15A1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
MOLREP phasing .
Coot model building .
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