X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION
Unit Cell:
a: 221.880 Å b: 221.880 Å c: 221.880 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 41 3 2
Crystal Properties:
Matthew's Coefficient: 2.7 Solvent Content: 52
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 3.08 26.91 8651 458 95.2 0.256 0.332 60.6
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
3.080 26.910 95.2 0.07000 ? 31.0000 22.000 ? 8651 ? 0.000 79.9
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 3.08 3.25 75.8 ? 5.000 9.00
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID14-4 ? ESRF ID14-4
Software
Software Name Purpose Version
CNS refinement 1.1
XDS data reduction .
SELDAT data scaling .
SCALKB2 data scaling .
KBAPLY data scaling .
PHASER phasing .
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