X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298.0 ethanol, magnesium chloride, sodium cacodylate, tetra-arginine, spermine tetrachloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
Unit Cell:
a: 46.149 Å b: 36.900 Å c: 110.030 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.94
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 ? 2.3 8.0 2839 168 78.7 0.2050000 0.2800000 ?
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
2.297 55.015 79.0 0.0525000 ? ? 1.0 3504 3504 1.0 ? ?
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 2.30 2.45 61.8 ? ? ? 1.0 456
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE ELLIOTT GX-21 ? ? ?
Software
Software Name Purpose Version
AMoRE phasing .
SHELXL-97 refinement .
CAD4 data reduction .
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