X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 278 20 mM sodium acetate pH 5.5, 150 mM sodium chloride
Unit Cell:
a: 48.623 Å b: 48.623 Å c: 109.221 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 2.56 Solvent Content: 51.87
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 FREE R-VALUE 1.493 48.623 38557 1901 94.019 ? 0.2065 16.157
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
1.493 48.623 94.1 ? ? 5.1 13.7 ? 38557 ? ? ?
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 1.493 1.52 84.1 ? ? ? 13.2 ?
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 ESRF BEAMLINE ID30B 0.551 ESRF ID30B
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
autoPROC data reduction .
XSCALE data scaling .
FFT phasing .
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