X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.6 ? 54% MPD, 25 MM SODIUM ACETATE, pH 7.6
Unit Cell:
a: 80.550 Å b: 83.580 Å c: 160.070 Å α: 99.59° β: 98.94° γ: 100.68°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.79 Solvent Content: 55.9
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 2.20 78.11 187727 9384 93.14 0.1892 0.2136 43.83
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
2.20 78.10 92.6 0.07 ? 8.70 2.0 ? 187791 ? 2.2 36.62
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 2.20 2.31 88.5 ? 2.20 2.0
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 X06DA ? SLS X06DA
Software
Software Name Purpose Version
BUSTER refinement 2.9.3
XDS data reduction .
SCALA data scaling .
MOLREP phasing .
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