X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 292 PEG 550 MME, NaCl, pH 8.5, vapor diffusion, temperature 292K
Unit Cell:
a: 253.929 Å b: 253.929 Å c: 253.929 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: F 4 3 2
Crystal Properties:
Matthew's Coefficient: 3.56 Solvent Content: 65.41
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 SAD ? 3.000 15.000 14441 727 99.900 ? 0.274 68.999
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
3.000 30 99.700 0.093 ? 12.960 ? ? 26475 ? -3.00 60.250
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 3.00 3.19 99.90 ? ? 3.0 ? ?
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 ESRF BEAMLINE ID23-1 0.9792 ESRF ID23-1
Software
Software Name Purpose Version
DNA data collection .
SHARP phasing .
CNS refinement .
XDS data reduction .
XSCALE data scaling .
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