X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5 289 Protein: 21.5mg/mL PCP-IP8: 10mM Precipitant condition: 26% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 1mM MgCl2 Ratio: 1:1
Unit Cell:
a: 34.514 Å b: 65.232 Å c: 78.543 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.6 Solvent Content: 52.7
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 1.630 50.182 21377 1063 93.595 ? 0.2183 31.680
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
1.63 78.54 93.7 ? ? 13 11.8 ? 21427 ? ? 26.6
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 1.63 1.66 ? ? ? 1.2 ? ?
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 0.87313 ESRF ID30B
Software
Software Name Purpose Version
autoPROC data processing 1.1.7
Aimless data scaling 0.7.13
REFMAC refinement 5.8.0431
Coot model building 0.9.8.92
REFMAC phasing 5.8.0431
autoPROC data reduction .
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